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ENAMINE-ZINC06850956

 MMsINC code: MMs01706080
Type: Neutral
Formula: C15H14FNO
SMILES:   Fc1ccccc1CO\N=C(\C)/c1ccccc1
InChI:   InChI=1/C15H14FNO/c1-12(13-7-3-2-4-8-13)17-18-11-14-9-5-6-10-15(14)16/h2-10H,11H2,1H3/b17-12+

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Potential Energy
Epot(MMFF94)=64.1356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.281 g/mol  logS: -3.98758  SlogP: 4.0329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00623493  Sterimol/B1: 2.04227  Sterimol/B2: 2.37437  Sterimol/B3: 2.51201
  Sterimol/B4: 6.17764  Sterimol/L: 16.2886 
 
 Surface and Volume Properties
  Accessible surface: 488.919  Positive charged surface: 266.292  Negative charged surface: 222.627  Volume: 243.5
  Hydrophobic surface: 468.077  Hydrophilic surface: 20.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.