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Analogs

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Popular Name: pentanediamide, N,N'-bis[2-(2-ethoxyethoxy)phenyl]- pentanediamide, N,N'-bis[2-(2-et…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 -1.77 -20.41 2 8 0 95 458.555 16 ↓

Analogs

6396627
6396627
6396652
6396652

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Popular Name: pentanediamide, N,N'-bis[4-[(methylamino)carbonyl]phenyl]- pentanediamide, N,N'-bis[4-[(met…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.35 3.5 -34.41 4 8 0 116 396.447 8 ↓

Analogs

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Popular Name: N,N'-bis(2,6-difluorophenyl)pentanediamide N,N'-bis(2,6-difluorophenyl)pent…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 7.4 -22.88 2 4 0 58 354.303 6 ↓

Analogs

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Popular Name: N,N'-bis(2,5-difluorophenyl)pentanediamide N,N'-bis(2,5-difluorophenyl)pent…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 7.41 -18.3 2 4 0 58 354.303 6 ↓

Analogs

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Popular Name: N,N'-bis(2,3,4-trifluorophenyl)pentanediamide N,N'-bis(2,3,4-trifluorophenyl)p…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 7.51 -15.47 2 4 0 58 390.283 6 ↓

Analogs

37000912
37000912
37124616
37124616

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Popular Name: pentanediamide, N,N'-bis[2-[(dimethylamino)carbonyl]phenyl]- pentanediamide, N,N'-bis[2-[(dim…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 7.23 -23.25 2 8 0 99 424.501 8 ↓

Analogs

25425353
25425353

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Popular Name: pentanediamide, N,N'-bis(3-chloro-4-methoxyphenyl)- pentanediamide, N,N'-bis(3-chlor…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 6.73 -27.86 2 6 0 77 411.285 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pentanediamide, N,N'-bis[2-[[(1-methylethyl)amino]carbonyl]phenyl]- pentanediamide, N,N'-bis[2-[[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 7.86 -21.33 4 8 0 116 452.555 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pentanediamide, N,N'-bis[2-[(propylamino)carbonyl]phenyl]- pentanediamide, N,N'-bis[2-[(pro…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 7.65 -21.09 4 8 0 116 452.555 12 ↓

Analogs

33683655
33683655

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Popular Name: pentanediamide, N,N'-bis[2-[(ethylamino)carbonyl]phenyl]- pentanediamide, N,N'-bis[2-[(eth…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 6.12 -21.32 4 8 0 116 424.501 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pentanediamide, N,N'-bis[3-[(dipropylamino)carbonyl]phenyl]- pentanediamide, N,N'-bis[3-[(dip…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.37 13.38 -42.25 2 8 0 99 536.717 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pentanediamide, N,N'-bis[3-(acetylamino)-4-methylphenyl]- pentanediamide, N,N'-bis[3-(acet…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 6.55 -28.64 4 8 0 116 424.501 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pentanediamide, N,N'-bis[4-[3-(methylamino)-3-oxopropyl]phenyl]- pentanediamide, N,N'-bis[4-[3-(m…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 6.56 -30.01 4 8 0 116 452.555 12 ↓

Parameters Provided:

ring.id = 9470
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 = 9470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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