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CHEMSTAR-ZINC04195939

 MMsINC code: MMs01111130
Type: Neutral
Formula: C20H16Cl2N2O2S
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)N
InChI:   InChI=1/C20H16Cl2N2O2S/c1-11-16(9-12-5-3-2-4-6-12)27-20(17(11)18(23)25)24-19(26)14-8-7-13(21)10-15(14)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=100.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.332 g/mol  logS: -7.1569  SlogP: 5.30529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733348  Sterimol/B1: 3.04699  Sterimol/B2: 3.15041  Sterimol/B3: 4.75083
  Sterimol/B4: 7.80504  Sterimol/L: 18.0622 
 
 Surface and Volume Properties
  Accessible surface: 648.077  Positive charged surface: 295.107  Negative charged surface: 352.97  Volume: 364.125
  Hydrophobic surface: 530.187  Hydrophilic surface: 117.89
 
 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.