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CHEMBRIDGE-ZINC01160267

 MMsINC code: MMs00675832
Type: Neutral
Formula: C17H15ClN2O3S
SMILES:   Clc1ccc(NC(=S)NC(=O)c2cc(C)c(cc2)C)cc1C(O)=O
InChI:   InChI=1/C17H15ClN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-12-5-6-14(18)13(8-12)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)

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Potential Energy
Epot(MMFF94)=135.751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.837 g/mol  logS: -6.46989  SlogP: 3.78184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222481  Sterimol/B1: 2.37924  Sterimol/B2: 3.62974  Sterimol/B3: 3.83462
  Sterimol/B4: 5.72494  Sterimol/L: 18.5487 
 
 Surface and Volume Properties
  Accessible surface: 585.125  Positive charged surface: 295.276  Negative charged surface: 289.849  Volume: 315.625
  Hydrophobic surface: 393.978  Hydrophilic surface: 191.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00675833
CHEMBRIDGE-ZINC01160267