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CHEMBRIDGE-ZINC02918768

 MMsINC code: MMs00741366
Type: Neutral
Formula: C18H15NO2S2
SMILES:   S1\C(=C\c2ccc(O)cc2)\C(=O)N(c2ccc(cc2C)C)C1=S
InChI:   InChI=1/C18H15NO2S2/c1-11-3-8-15(12(2)9-11)19-17(21)16(23-18(19)22)10-13-4-6-14(20)7-5-13/h3-10,20H,1-2H3/b16-10-

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Potential Energy
Epot(MMFF94)=113.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.455 g/mol  logS: -6.33425  SlogP: 4.41484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512554  Sterimol/B1: 3.42732  Sterimol/B2: 3.49643  Sterimol/B3: 4.63552
  Sterimol/B4: 5.11532  Sterimol/L: 17.8925 
 
 Surface and Volume Properties
  Accessible surface: 573.381  Positive charged surface: 280.656  Negative charged surface: 292.725  Volume: 313.625
  Hydrophobic surface: 404.515  Hydrophilic surface: 168.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.