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IBS-ZINC00510276

 MMsINC code: MMs01743612
Type: Neutral
Formula: C16H12N2O2
SMILES:   Oc1ccccc1-c1n[nH]cc1C(=O)c1ccccc1
InChI:   InChI=1/C16H12N2O2/c19-14-9-5-4-8-12(14)15-13(10-17-18-15)16(20)11-6-2-1-3-7-11/h1-10,19H,(H,17,18)

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Potential Energy
Epot(MMFF94)=91.9576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.284 g/mol  logS: -3.92696  SlogP: 3.0133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197184  Sterimol/B1: 3.15283  Sterimol/B2: 4.53957  Sterimol/B3: 5.35442
  Sterimol/B4: 6.50935  Sterimol/L: 11.8794 
 
 Surface and Volume Properties
  Accessible surface: 469.147  Positive charged surface: 258.678  Negative charged surface: 210.469  Volume: 250.125
  Hydrophobic surface: 321.909  Hydrophilic surface: 147.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.