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NCID-ZINC05024085

 MMsINC code: MMs02429558
Type: Neutral
Formula: C15H13NO2
SMILES:   Oc1ccc(\N=C\C(=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C15H13NO2/c1-11-2-4-12(5-3-11)15(18)10-16-13-6-8-14(17)9-7-13/h2-10,17H,1H3/b16-10+

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Potential Energy
Epot(MMFF94)=69.1042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.274 g/mol  logS: -3.75294  SlogP: 3.28582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215615  Sterimol/B1: 2.54052  Sterimol/B2: 2.62236  Sterimol/B3: 3.14585
  Sterimol/B4: 5.58185  Sterimol/L: 16.3316 
 
 Surface and Volume Properties
  Accessible surface: 486.428  Positive charged surface: 264.81  Negative charged surface: 221.618  Volume: 237.25
  Hydrophobic surface: 374.875  Hydrophilic surface: 111.553
 
 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.