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PUBCHEM-ZINC06582390

 MMsINC code: MMs03808203
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-/m0/s1

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Potential Energy
Epot(MMFF94)=60.0467 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: 0.0933631  Sterimol/B1: 2.20753  Sterimol/B2: 2.25744  Sterimol/B3: 5.29969
  Sterimol/B4: 10.0317  Sterimol/L: 15.2121 
 
 Surface and Volume Properties
  Accessible surface: 584.83  Positive charged surface: 292.591  Negative charged surface: 288.23  Volume: 317.625
  Hydrophobic surface: 450.676  Hydrophilic surface: 134.154
 
 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.