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PUBCHEM-ZINC06582376

 MMsINC code: MMs03808195
Type: Neutral
Formula: C18H15ClN2O2S
SMILES:   Clc1cc2c([nH]c(C(=O)NC3CC3)c2S(=O)c2ccccc2)cc1
InChI:   InChI=1/C18H15ClN2O2S/c19-11-6-9-15-14(10-11)17(24(23)13-4-2-1-3-5-13)16(21-15)18(22)20-12-7-8-12/h1-6,9-10,12,21H,7-8H2,(H,20,22)/t24-/m1/s1

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Potential Energy
Epot(MMFF94)=59.4233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.849 g/mol  logS: -5.37453  SlogP: 3.8802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926884  Sterimol/B1: 2.20484  Sterimol/B2: 2.2054  Sterimol/B3: 5.39905
  Sterimol/B4: 9.95249  Sterimol/L: 14.9309 
 
 Surface and Volume Properties
  Accessible surface: 580.734  Positive charged surface: 289.85  Negative charged surface: 286.801  Volume: 320.375
  Hydrophobic surface: 444.577  Hydrophilic surface: 136.157
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.