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ASINEX-ZINC00127398

 MMsINC code: MMs00079492
Type: Neutral
Formula: C19H14N2O3
SMILES:   o1cccc1C1=Nc2c(cccc2)C(=O)N1c1ccccc1OC
InChI:   InChI=1/C19H14N2O3/c1-23-16-10-5-4-9-15(16)21-18(17-11-6-12-24-17)20-14-8-3-2-7-13(14)19(21)22/h2-12H,1H3

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Potential Energy
Epot(MMFF94)=102.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.332 g/mol  logS: -5.47917  SlogP: 4.0269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200051  Sterimol/B1: 2.43534  Sterimol/B2: 2.49683  Sterimol/B3: 7.32687
  Sterimol/B4: 8.01227  Sterimol/L: 13.8649 
 
 Surface and Volume Properties
  Accessible surface: 533.582  Positive charged surface: 323.753  Negative charged surface: 209.828  Volume: 297.125
  Hydrophobic surface: 492.568  Hydrophilic surface: 41.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.