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CHEMDIV-ZINC06798931

 MMsINC code: MMs01027307
Type: Neutral
Formula: C19H19ClN2O2S
SMILES:   Clc1ccc(Sc2c3c([nH]c2C(=O)NC(C)C)cc(OC)cc3)cc1
InChI:   InChI=1/C19H19ClN2O2S/c1-11(2)21-19(23)17-18(25-14-7-4-12(20)5-8-14)15-9-6-13(24-3)10-16(15)22-17/h4-11,22H,1-3H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.1079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.892 g/mol  logS: -6.25818  SlogP: 5.1193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0915546  Sterimol/B1: 2.14323  Sterimol/B2: 4.17532  Sterimol/B3: 4.58648
  Sterimol/B4: 10.8519  Sterimol/L: 15.8698 
 
 Surface and Volume Properties
  Accessible surface: 629.698  Positive charged surface: 354.687  Negative charged surface: 272.003  Volume: 342.75
  Hydrophobic surface: 530.385  Hydrophilic surface: 99.313
 
 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.