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CHEMBRIDGE-ZINC04680049

 MMsINC code: MMs00776301
Type: Neutral
Formula: C18H15FN2O3S
SMILES:   S1\C(=C/c2cccc(OC)c2OCc2ccc(F)cc2)\C(=O)NC1=N
InChI:   InChI=1/C18H15FN2O3S/c1-23-14-4-2-3-12(9-15-17(22)21-18(20)25-15)16(14)24-10-11-5-7-13(19)8-6-11/h2-9H,10H2,1H3,(H2,20,21,22)/b15-9-

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Potential Energy
Epot(MMFF94)=95.0186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.393 g/mol  logS: -5.45506  SlogP: 3.81837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301188  Sterimol/B1: 2.00127  Sterimol/B2: 2.7656  Sterimol/B3: 2.8854
  Sterimol/B4: 10.3103  Sterimol/L: 15.8519 
 
 Surface and Volume Properties
  Accessible surface: 572.709  Positive charged surface: 328.054  Negative charged surface: 244.655  Volume: 316.375
  Hydrophobic surface: 387.589  Hydrophilic surface: 185.12
 
 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.