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ZINC Item

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54679947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6'-methoxy-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-6'-methoxy-3-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	5.7	-14.24	2	7	0	80	401.422	3	↓ MOL2 SDF SMILES Flexibase

54679950

Analogs

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Popular Name: (2R)-6'-methoxy-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-6'-methoxy-3-(4-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	5.72	-13.76	2	7	0	80	401.422	3	↓ MOL2 SDF SMILES Flexibase

54679972

Analogs

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Popular Name: (2S)-6'-methoxy-3-(p-tolylmethyl)spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-6'-methoxy-3-(p-tolylmethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	7.55	-11.76	2	6	0	71	399.45	3	↓ MOL2 SDF SMILES Flexibase

54679976

Analogs

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Popular Name: (2R)-6'-methoxy-3-(p-tolylmethyl)spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-6'-methoxy-3-(p-tolylmethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	7.57	-11.65	2	6	0	71	399.45	3	↓ MOL2 SDF SMILES Flexibase

54680184

Analogs

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Popular Name: (2R)-6'-methoxyspiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2R)-6'-methoxyspiro[1,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	1.16	-11.3	3	6	0	79	295.298	1	↓ MOL2 SDF SMILES Flexibase

54680187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6'-methoxyspiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2S)-6'-methoxyspiro[1,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	1.18	-11.29	3	6	0	79	295.298	1	↓ MOL2 SDF SMILES Flexibase

54681015

Analogs

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Popular Name: (2R)-3-cyclopropyl-6'-methoxy-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-6'-methoxy-sp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	4.28	-11.86	2	6	0	71	335.363	2	↓ MOL2 SDF SMILES Flexibase

54681018

Analogs

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Popular Name: (2S)-3-cyclopropyl-6'-methoxy-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-6'-methoxy-sp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	4.58	-10.74	2	6	0	71	335.363	2	↓ MOL2 SDF SMILES Flexibase

54681494

Analogs

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Popular Name: (2S)-6'-methoxy-3-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-6'-methoxy-3-methyl-spiro[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	2.99	-11.52	2	6	0	71	309.325	1	↓ MOL2 SDF SMILES Flexibase

54681497

Analogs

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Popular Name: (2R)-6'-methoxy-3-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-6'-methoxy-3-methyl-spiro[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	2.98	-11.63	2	6	0	71	309.325	1	↓ MOL2 SDF SMILES Flexibase

54682047

Analogs

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Popular Name: 2-[(3R)-6-methoxy-3'-methyl-2,4'-dioxo-spiro[indoline-3,2'-quinazoline]-1'-yl]-N-methyl-acetamide 2-[(3R)-6-methoxy-3'-methyl-2,4'…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	3.12	-13.99	2	8	0	91	380.404	3	↓ MOL2 SDF SMILES Flexibase

54682048

Analogs

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Popular Name: 2-[(3S)-6-methoxy-3'-methyl-2,4'-dioxo-spiro[indoline-3,2'-quinazoline]-1'-yl]-N-methyl-acetamide 2-[(3S)-6-methoxy-3'-methyl-2,4'…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	4.08	-22.14	2	8	0	91	380.404	3	↓ MOL2 SDF SMILES Flexibase

54683100

Analogs

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Popular Name: (2S)-6-chloro-6'-methoxy-3-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-6-chloro-6'-methoxy-3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	3.5	-10.96	2	6	0	71	343.77	1	↓ MOL2 SDF SMILES Flexibase

54683103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-6'-methoxy-3-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-6-chloro-6'-methoxy-3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	3.49	-11.06	2	6	0	71	343.77	1	↓ MOL2 SDF SMILES Flexibase

54701645

Analogs

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Popular Name: (2S)-7-chloro-6'-methoxy-3-propyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-7-chloro-6'-methoxy-3-propy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	5.18	-9.07	2	6	0	71	371.824	3	↓ MOL2 SDF SMILES Flexibase

54701646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-7-chloro-6'-methoxy-3-propyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-7-chloro-6'-methoxy-3-propy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	5.26	-9.04	2	6	0	71	371.824	3	↓ MOL2 SDF SMILES Flexibase

57945891

Analogs

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Popular Name: (2R)-3-(1,3-benzodioxol-5-ylmethyl)-5'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-(1,3-benzodioxol-5-ylmeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	6.89	-11.63	2	7	0	80	413.433	2	↓ MOL2 SDF SMILES Flexibase

57945893

Analogs

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Popular Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-5'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-(1,3-benzodioxol-5-ylmeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	6.91	-15.12	2	7	0	80	413.433	2	↓ MOL2 SDF SMILES Flexibase

57994682

Analogs

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Popular Name: (2S)-6'-fluoro-3-(2,2,2-trifluoroethyl)spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-6'-fluoro-3-(2,2,2-trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	4.81	-9.87	2	5	0	61	365.286	2	↓ MOL2 SDF SMILES Flexibase

57994684

Analogs

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Popular Name: (2R)-6'-fluoro-3-(2,2,2-trifluoroethyl)spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-6'-fluoro-3-(2,2,2-trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	4.73	-9.81	2	5	0	61	365.286	2	↓ MOL2 SDF SMILES Flexibase

61385791

Analogs

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Popular Name: (2S)-1'-allyl-3-cyclopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-1'-allyl-3-cyclopropyl-spir…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	8.77	-11.81	1	5	0	53	345.402	3	↓ MOL2 SDF SMILES Flexibase

69055586

Analogs

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Popular Name: (2S)-5'-chlorospiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2S)-5'-chlorospiro[1,3-dihydroq…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	2.41	-11.96	3	5	0	70	299.717	0	↓ MOL2 SDF SMILES Flexibase

69055587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5'-chlorospiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2R)-5'-chlorospiro[1,3-dihydroq…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	2.42	-11.91	3	5	0	70	299.717	0	↓ MOL2 SDF SMILES Flexibase

69055608

Analogs

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Popular Name: (2S)-3-isobutyl-1'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-isobutyl-1'-methyl-spiro[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	7.87	-11.68	1	5	0	53	335.407	2	↓ MOL2 SDF SMILES Flexibase

69055609

Analogs

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Popular Name: (2R)-3-isobutyl-1'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-isobutyl-1'-methyl-spiro[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	7.84	-11.27	1	5	0	53	335.407	2	↓ MOL2 SDF SMILES Flexibase

69055624

Analogs

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Popular Name: (2S)-5'-fluoro-3-isobutyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-fluoro-3-isobutyl-spiro[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	5.92	-11.76	2	5	0	61	339.37	2	↓ MOL2 SDF SMILES Flexibase

69055625

Analogs

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Popular Name: (2R)-5'-fluoro-3-isobutyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-fluoro-3-isobutyl-spiro[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	5.97	-12.05	2	5	0	61	339.37	2	↓ MOL2 SDF SMILES Flexibase

69055627

Analogs

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Popular Name: (2S)-3-allyl-5'-fluoro-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-allyl-5'-fluoro-spiro[1H-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	5.32	-12.57	2	5	0	61	323.327	2	↓ MOL2 SDF SMILES Flexibase

69055628

Analogs

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Popular Name: (2R)-3-allyl-5'-fluoro-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-allyl-5'-fluoro-spiro[1H-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	5.29	-12.3	2	5	0	61	323.327	2	↓ MOL2 SDF SMILES Flexibase

69055631

Analogs

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Popular Name: (2S)-5'-chloro-1-methyl-spiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-chloro-1-methyl-spiro[3H…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	3.89	-12.31	2	5	0	61	313.744	0	↓ MOL2 SDF SMILES Flexibase

69055632

Analogs

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Popular Name: (2R)-5'-chloro-1-methyl-spiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-chloro-1-methyl-spiro[3H…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	3.82	-12.55	2	5	0	61	313.744	0	↓ MOL2 SDF SMILES Flexibase

69055635

Analogs

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Popular Name: (2S)-5'-bromo-1-methyl-spiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-bromo-1-methyl-spiro[3H-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	4	-12.15	2	5	0	61	358.195	0	↓ MOL2 SDF SMILES Flexibase

69055636

Analogs

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Popular Name: (2R)-5'-bromo-1-methyl-spiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-bromo-1-methyl-spiro[3H-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	3.93	-12.39	2	5	0	61	358.195	0	↓ MOL2 SDF SMILES Flexibase

69055637

Analogs

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Popular Name: (2S)-1-methylspiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2S)-1-methylspiro[3H-quinazolin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	3.39	-12.17	2	5	0	61	279.299	0	↓ MOL2 SDF SMILES Flexibase

69055638

Analogs

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Popular Name: (2R)-1-methylspiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2R)-1-methylspiro[3H-quinazolin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	3.32	-12.55	2	5	0	61	279.299	0	↓ MOL2 SDF SMILES Flexibase

69055640

Analogs

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Popular Name: (2R)-1,5'-dimethylspiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2R)-1,5'-dimethylspiro[3H-quina…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	4	-12.51	2	5	0	61	293.326	0	↓ MOL2 SDF SMILES Flexibase

69055641

Analogs

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Popular Name: (2S)-1,5'-dimethylspiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2S)-1,5'-dimethylspiro[3H-quina…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	4.09	-12.18	2	5	0	61	293.326	0	↓ MOL2 SDF SMILES Flexibase

69055644

Analogs

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Popular Name: (2S)-5'-fluoro-1-methyl-spiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-fluoro-1-methyl-spiro[3H…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	3.45	-12.95	2	5	0	61	297.289	0	↓ MOL2 SDF SMILES Flexibase

69055645

Analogs

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Popular Name: (2R)-5'-fluoro-1-methyl-spiro[3H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-fluoro-1-methyl-spiro[3H…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	3.38	-13.24	2	5	0	61	297.289	0	↓ MOL2 SDF SMILES Flexibase

69055648

Analogs

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Popular Name: (2S)-5'-chloro-3-cyclopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-chloro-3-cyclopropyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	5.77	-11.41	2	5	0	61	339.782	1	↓ MOL2 SDF SMILES Flexibase

69055649

Analogs

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Popular Name: (2R)-5'-chloro-3-cyclopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-chloro-3-cyclopropyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	5.48	-12.8	2	5	0	61	339.782	1	↓ MOL2 SDF SMILES Flexibase

69055654

Analogs

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Popular Name: (2R)-3-cyclopropyl-1'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-1'-methyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	7.08	-13.11	1	5	0	53	319.364	1	↓ MOL2 SDF SMILES Flexibase

69055655

Analogs

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Popular Name: (2S)-3-cyclopropyl-1'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-1'-methyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	7.31	-11.87	1	5	0	53	319.364	1	↓ MOL2 SDF SMILES Flexibase

69055668

Analogs

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Popular Name: (2S)-3-cyclopropyl-5'-fluoro-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-5'-fluoro-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.71	5.33	-12.17	2	5	0	61	323.327	1	↓ MOL2 SDF SMILES Flexibase

69055669

Analogs

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Popular Name: (2R)-3-cyclopropyl-5'-fluoro-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-5'-fluoro-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.71	5.03	-13.53	2	5	0	61	323.327	1	↓ MOL2 SDF SMILES Flexibase

69097375

Analogs

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Popular Name: (2S)-5'-fluoro-7'-methyl-spiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2S)-5'-fluoro-7'-methyl-spiro[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	2.68	-11.61	3	5	0	70	297.289	0	↓ MOL2 SDF SMILES Flexibase

69097380

Analogs

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Popular Name: (2R)-3-allyl-5'-fluoro-7'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-allyl-5'-fluoro-7'-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	5.99	-11.44	2	5	0	61	337.354	2	↓ MOL2 SDF SMILES Flexibase

69097426

Analogs

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Popular Name: (2S)-5'-fluoro-7',8-dimethyl-spiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2S)-5'-fluoro-7',8-dimethyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	3.5	-11.48	3	5	0	70	311.316	0	↓ MOL2 SDF SMILES Flexibase

66738612

Analogs

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Popular Name: (2R)-5'-bromo-1'-prop-2-ynyl-spiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2R)-5'-bromo-1'-prop-2-ynyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	5.96	-12.91	2	5	0	61	382.217	1	↓ MOL2 SDF SMILES Flexibase

66738614

Analogs

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Popular Name: (2S)-5'-bromo-1'-prop-2-ynyl-spiro[1,3-dihydroquinazoline-2,3'-indoline]-2',4-dione (2S)-5'-bromo-1'-prop-2-ynyl-spi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	5.97	-12.38	2	5	0	61	382.217	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 138604
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 138604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "138604"        

    });
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