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CHEMBRIDGE-ZINC01184922

 MMsINC code: MMs00683329
Type: Neutral
Formula: C19H14Cl2N2O2S
SMILES:   Clc1cc(NC(=O)c2cc(NC(=O)c3sccc3)ccc2Cl)ccc1C
InChI:   InChI=1/C19H14Cl2N2O2S/c1-11-4-5-13(10-16(11)21)22-18(24)14-9-12(6-7-15(14)20)23-19(25)17-3-2-8-26-17/h2-10H,1H3,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=96.4404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.305 g/mol  logS: -6.76058  SlogP: 5.86792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194004  Sterimol/B1: 3.15417  Sterimol/B2: 3.38875  Sterimol/B3: 3.83808
  Sterimol/B4: 7.62072  Sterimol/L: 19.4035 
 
 Surface and Volume Properties
  Accessible surface: 634.707  Positive charged surface: 265.318  Negative charged surface: 369.389  Volume: 344.75
  Hydrophobic surface: 567.117  Hydrophilic surface: 67.59
 
 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.