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NCID-ZINC05808399

 MMsINC code: MMs02498454
Type: Neutral
Formula: C15H12N2O2
SMILES:   Oc1ccc(cc1)\C=N\N1c2c(CC1=O)cccc2
InChI:   InChI=1/C15H12N2O2/c18-13-7-5-11(6-8-13)10-16-17-14-4-2-1-3-12(14)9-15(17)19/h1-8,10,18H,9H2/b16-10+

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Potential Energy
Epot(MMFF94)=85.3687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.273 g/mol  logS: -3.31004  SlogP: 2.31537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00507067  Sterimol/B1: 2.30538  Sterimol/B2: 2.45559  Sterimol/B3: 3.35233
  Sterimol/B4: 5.96035  Sterimol/L: 15.4382 
 
 Surface and Volume Properties
  Accessible surface: 479.982  Positive charged surface: 280.019  Negative charged surface: 199.963  Volume: 241.875
  Hydrophobic surface: 369.271  Hydrophilic surface: 110.711
 
 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.