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CHEMBRIDGE-ZINC01794356

 MMsINC code: MMs00697897
Type: Neutral
Formula: C32H32N2O2
SMILES:   O=C(Nc1ccc(cc1C)-c1cc(C)c(NC(=O)CCc2ccccc2)cc1)CCc1ccccc1
InChI:   InChI=1/C32H32N2O2/c1-23-21-27(15-17-29(23)33-31(35)19-13-25-9-5-3-6-10-25)28-16-18-30(24(2)22-28)34-32(36)20-14-26-11-7-4-8-12-26/h3-12,15-18,21-22H,13-14,19-20H2,1-2H3,(H,33,35)(H,34,36)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.62 g/mol  logS: -7.95896  SlogP: 7.11298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137402  Sterimol/B1: 2.13699  Sterimol/B2: 3.19077  Sterimol/B3: 3.92885
  Sterimol/B4: 8.45698  Sterimol/L: 29.3721 
 
 Surface and Volume Properties
  Accessible surface: 863.889  Positive charged surface: 505.074  Negative charged surface: 348.456  Volume: 487.875
  Hydrophobic surface: 800.763  Hydrophilic surface: 63.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.