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Analogs

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Popular Name: (6S,7R)-5'-methoxy-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'- (6S,7R)-5'-methoxy-6-methyl-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) 4.38 11.03 -8.25 0 4 0 39 417.427 4 ↓

Analogs

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Popular Name: (6R,7S)-5'-methoxy-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'- (6R,7S)-5'-methoxy-6-methyl-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) 4.38 11.03 -8.05 0 4 0 39 417.427 4 ↓

Analogs

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Popular Name: (6S,7S)-5'-methoxy-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'- (6S,7S)-5'-methoxy-6-methyl-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) 4.38 10.95 -7.83 0 4 0 39 417.427 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 10.41 -11.23 0 6 0 65 407.466 5 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 10.41 -11.34 0 6 0 65 407.466 5 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 10.31 -11.46 0 6 0 65 407.466 5 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 11.73 -11.02 0 5 0 56 456.336 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 11.69 -11.09 0 5 0 56 456.336 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 11.56 -11.35 0 5 0 56 456.336 4 ↓

Analogs

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Popular Name: (6S,7R)-1'-[(4-fluorophenyl)methyl]-5'-methoxy-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]- (6S,7R)-1'-[(4-fluorophenyl)meth…

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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) 3.69 9.83 -9.16 0 4 0 39 367.42 3 ↓

Analogs

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Popular Name: (6R,7S)-1'-[(4-fluorophenyl)methyl]-5'-methoxy-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]- (6R,7S)-1'-[(4-fluorophenyl)meth…

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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) 3.69 9.83 -9.26 0 4 0 39 367.42 3 ↓

Analogs

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Popular Name: (6S,7S)-1'-[(4-fluorophenyl)methyl]-5'-methoxy-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]- (6S,7S)-1'-[(4-fluorophenyl)meth…

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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) 3.69 9.74 -9.38 0 4 0 39 367.42 3 ↓

Analogs

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Popular Name: (6S,7R)-1'-[(4-bromophenyl)methyl]-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (6S,7R)-1'-[(4-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 11.11 -7.68 0 3 0 30 398.3 2 ↓

Analogs

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Popular Name: (6R,7S)-1'-[(4-bromophenyl)methyl]-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (6R,7S)-1'-[(4-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 11.09 -7.66 0 3 0 30 398.3 2 ↓

Analogs

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Popular Name: (6S,7S)-1'-[(4-bromophenyl)methyl]-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (6S,7S)-1'-[(4-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 11 -7.72 0 3 0 30 398.3 2 ↓

Analogs

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Popular Name: (6S,7R)-1'-[(4-bromophenyl)methyl]-5'-methoxy-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2 (6S,7R)-1'-[(4-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 10.39 -8.47 0 4 0 39 428.326 3 ↓

Analogs

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Popular Name: (6R,7S)-1'-[(4-bromophenyl)methyl]-5'-methoxy-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2 (6R,7S)-1'-[(4-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 10.39 -8.63 0 4 0 39 428.326 3 ↓

Analogs

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Popular Name: (6S,7S)-1'-[(4-bromophenyl)methyl]-5'-methoxy-6-methyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2 (6S,7S)-1'-[(4-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 10.29 -8.69 0 4 0 39 428.326 3 ↓

Analogs

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Popular Name: (6S,7R)-4'-bromo-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'-in (6S,7R)-4'-bromo-6-methyl-1'-[[2…

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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) 5.11 12.26 -7.83 0 3 0 30 466.297 3 ↓

Analogs

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Popular Name: (6R,7S)-4'-bromo-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'-in (6R,7S)-4'-bromo-6-methyl-1'-[[2…

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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) 5.11 12.32 -7.35 0 3 0 30 466.297 3 ↓

Analogs

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Popular Name: (6S,7S)-4'-bromo-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'-in (6S,7S)-4'-bromo-6-methyl-1'-[[2…

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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) 5.11 12.19 -7.34 0 3 0 30 466.297 3 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 11.13 -10.29 0 5 0 56 377.44 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 11.12 -10.4 0 5 0 56 377.44 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 11.02 -10.44 0 5 0 56 377.44 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.59 11.99 -10.19 0 5 0 56 391.467 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.59 12.02 -10.68 0 5 0 56 391.467 4 ↓

Analogs

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Popular Name: methyl 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.59 11.99 -10.39 0 5 0 56 391.467 4 ↓

Analogs

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Popular Name: (2S,7R)-1'-[(4-fluorophenyl)methyl]-2,5-dimethyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2S,7R)-1'-[(4-fluorophenyl)meth…

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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) 4.58 11.41 -8.14 0 3 0 30 351.421 2 ↓

Analogs

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Popular Name: (2R,7S)-1'-[(4-fluorophenyl)methyl]-2,5-dimethyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2R,7S)-1'-[(4-fluorophenyl)meth…

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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) 4.58 11.45 -8.54 0 3 0 30 351.421 2 ↓

Analogs

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Popular Name: (2S,7S)-1'-[(4-fluorophenyl)methyl]-2,5-dimethyl-spiro[3,6-dihydro-2H-oxepine-7,3'-indoline]-2'-one (2S,7S)-1'-[(4-fluorophenyl)meth…

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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) 4.58 11.41 -8.26 0 3 0 30 351.421 2 ↓

Parameters Provided:

ring.id = 471445
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 471445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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