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CHEMBRIDGE-ZINC01186649

 MMsINC code: MMs00683680
Type: Neutral
Formula: C19H15ClN2O3S2
SMILES:   Clc1cc(NC(=O)CN2C(=O)/C(/SC2=S)=C/c2ccc(cc2)C)c(O)cc1
InChI:   InChI=1/C19H15ClN2O3S2/c1-11-2-4-12(5-3-11)8-16-18(25)22(19(26)27-16)10-17(24)21-14-9-13(20)6-7-15(14)23/h2-9,23H,10H2,1H3,(H,21,24)/b16-8-

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Potential Energy
Epot(MMFF94)=96.0024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.925 g/mol  logS: -7.08064  SlogP: 4.19392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592181  Sterimol/B1: 4.55234  Sterimol/B2: 4.63496  Sterimol/B3: 5.08061
  Sterimol/B4: 5.47018  Sterimol/L: 19.446 
 
 Surface and Volume Properties
  Accessible surface: 660.672  Positive charged surface: 300.578  Negative charged surface: 360.093  Volume: 357.5
  Hydrophobic surface: 450.376  Hydrophilic surface: 210.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.