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CHEMBRIDGE-ZINC00315252

 MMsINC code: MMs00607373
Type: Neutral
Formula: C15H12N2O2
SMILES:   Oc1cc(O)ccc1-c1n[nH]cc1-c1ccccc1
InChI:   InChI=1/C15H12N2O2/c18-11-6-7-12(14(19)8-11)15-13(9-16-17-15)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)

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Potential Energy
Epot(MMFF94)=68.5063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.273 g/mol  logS: -3.91858  SlogP: 3.1549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136933  Sterimol/B1: 2.44589  Sterimol/B2: 3.09018  Sterimol/B3: 3.80336
  Sterimol/B4: 8.19793  Sterimol/L: 11.7561 
 
 Surface and Volume Properties
  Accessible surface: 455.336  Positive charged surface: 274.803  Negative charged surface: 180.533  Volume: 238.125
  Hydrophobic surface: 281.44  Hydrophilic surface: 173.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.