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CHEMBRIDGE-ZINC04171306

 MMsINC code: MMs00764459
Type: Neutral
Formula: C15H13FN2O2
SMILES:   Fc1ccc(cc1)C(O\N=C(\N)/c1ccc(cc1)C)=O
InChI:   InChI=1/C15H13FN2O2/c1-10-2-4-11(5-3-10)14(17)18-20-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H2,17,18)

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Potential Energy
Epot(MMFF94)=93.8002 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: 0.00244009  Sterimol/B1: 2.10325  Sterimol/B2: 2.51226  Sterimol/B3: 3.27947
  Sterimol/B4: 4.8572  Sterimol/L: 17.5918 
 
 Surface and Volume Properties
  Accessible surface: 509.821  Positive charged surface: 263.519  Negative charged surface: 246.302  Volume: 253.75
  Hydrophobic surface: 407.8  Hydrophilic surface: 102.021
 
 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.