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CHEMBRIDGE-ZINC01067744

 MMsINC code: MMs00657417
Type: Neutral
Formula: C22H15ClN2O2S
SMILES:   Clc1c2c(ccc1)c(ccc2)C(=O)Nc1ccc(NC(=O)c2sccc2)cc1
InChI:   InChI=1/C22H15ClN2O2S/c23-19-7-2-4-16-17(19)5-1-6-18(16)21(26)24-14-9-11-15(12-10-14)25-22(27)20-8-3-13-28-20/h1-13H,(H,24,26)(H,25,27)

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Potential Energy
Epot(MMFF94)=119.386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.893 g/mol  logS: -7.7437  SlogP: 6.0593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0077529  Sterimol/B1: 2.54045  Sterimol/B2: 2.74138  Sterimol/B3: 2.80399
  Sterimol/B4: 7.51412  Sterimol/L: 21.9619 
 
 Surface and Volume Properties
  Accessible surface: 641.129  Positive charged surface: 279.284  Negative charged surface: 352.648  Volume: 361.75
  Hydrophobic surface: 572.163  Hydrophilic surface: 68.966
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.