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ENAMINE-ZINC03246115

 MMsINC code: MMs01327757
Type: Neutral
Formula: C15H12N2O
SMILES:   O=C(c1n2c(nc1C)C=CC=C2)c1ccccc1
InChI:   InChI=1/C15H12N2O/c1-11-14(15(18)12-7-3-2-4-8-12)17-10-6-5-9-13(17)16-11/h2-10H,1H3

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Potential Energy
Epot(MMFF94)=60.2894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.274 g/mol  logS: -3.15484  SlogP: 2.92002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163043  Sterimol/B1: 2.3197  Sterimol/B2: 4.09992  Sterimol/B3: 4.21459
  Sterimol/B4: 7.90553  Sterimol/L: 12.7387 
 
 Surface and Volume Properties
  Accessible surface: 451.785  Positive charged surface: 236.032  Negative charged surface: 215.753  Volume: 233.625
  Hydrophobic surface: 404.687  Hydrophilic surface: 47.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.