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CHEMBRIDGE-ZINC01137664

 MMsINC code: MMs00668948
Type: Neutral
Formula: C19H15FN2O3S
SMILES:   S1\C(=C\c2cc(OCc3ccc(F)cc3)ccc2)\C(=O)N=C1NC(=O)C
InChI:   InChI=1/C19H15FN2O3S/c1-12(23)21-19-22-18(24)17(26-19)10-14-3-2-4-16(9-14)25-11-13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,21,22,23,24)/b17-10-

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Potential Energy
Epot(MMFF94)=95.9983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.404 g/mol  logS: -5.69336  SlogP: 3.7775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297092  Sterimol/B1: 3.3776  Sterimol/B2: 3.58815  Sterimol/B3: 4.00336
  Sterimol/B4: 5.91777  Sterimol/L: 21.7108 
 
 Surface and Volume Properties
  Accessible surface: 632.32  Positive charged surface: 326.002  Negative charged surface: 306.318  Volume: 327.75
  Hydrophobic surface: 467.381  Hydrophilic surface: 164.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.