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CHEMBRIDGE-ZINC04191410

 MMsINC code: MMs00765454
Type: Neutral
Formula: C15H13FN2O2
SMILES:   Fc1cc(ccc1)C(O\N=C(\N)/c1ccc(cc1)C)=O
InChI:   InChI=1/C15H13FN2O2/c1-10-5-7-11(8-6-10)14(17)18-20-15(19)12-3-2-4-13(16)9-12/h2-9H,1H3,(H2,17,18)

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Potential Energy
Epot(MMFF94)=90.1451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.279 g/mol  logS: -4.69713  SlogP: 2.61142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00245038  Sterimol/B1: 2.10419  Sterimol/B2: 2.51237  Sterimol/B3: 3.2992
  Sterimol/B4: 4.84691  Sterimol/L: 17.3207 
 
 Surface and Volume Properties
  Accessible surface: 509.677  Positive charged surface: 265.755  Negative charged surface: 243.922  Volume: 254.625
  Hydrophobic surface: 407.657  Hydrophilic surface: 102.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.