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PUBCHEM-ZINC05948012

 MMsINC code: MMs03456600
Type: Neutral
Formula: C18H12N2O2
SMILES:   o1c2ncnc(Oc3ccccc3)c2cc1-c1ccccc1
InChI:   InChI=1/C18H12N2O2/c1-3-7-13(8-4-1)16-11-15-17(19-12-20-18(15)22-16)21-14-9-5-2-6-10-14/h1-12H

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Potential Energy
Epot(MMFF94)=67.0767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.306 g/mol  logS: -6.98672  SlogP: 4.6821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340959  Sterimol/B1: 3.41093  Sterimol/B2: 3.48212  Sterimol/B3: 3.52939
  Sterimol/B4: 6.17864  Sterimol/L: 17.3806 
 
 Surface and Volume Properties
  Accessible surface: 536.091  Positive charged surface: 307.433  Negative charged surface: 222.748  Volume: 274.125
  Hydrophobic surface: 454.112  Hydrophilic surface: 81.979
 
 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.