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MAYBRIDGE-ZINC00147971

 MMsINC code: MMs02141090
Type: Neutral
Formula: C15H12ClNO2S2
SMILES:   Clc1cc2c(scc2CNS(=O)(=O)c2ccccc2)cc1
InChI:   InChI=1/C15H12ClNO2S2/c16-12-6-7-15-14(8-12)11(10-20-15)9-17-21(18,19)13-4-2-1-3-5-13/h1-8,10,17H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.1059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.851 g/mol  logS: -5.22548  SlogP: 4.2996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105798  Sterimol/B1: 3.11175  Sterimol/B2: 4.44354  Sterimol/B3: 5.38125
  Sterimol/B4: 6.40285  Sterimol/L: 13.8268 
 
 Surface and Volume Properties
  Accessible surface: 530.377  Positive charged surface: 203.322  Negative charged surface: 324.094  Volume: 285.875
  Hydrophobic surface: 448.955  Hydrophilic surface: 81.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.