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AURORAFEINCHEMIE-ZINC00173550

 MMsINC code: MMs00446111
Type: Neutral
Formula: C15H11NO2
SMILES:   OC1=CC(=O)N(c2c1cccc2)c1ccccc1
InChI:   InChI=1/C15H11NO2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10,17H

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Potential Energy
Epot(MMFF94)=81.0314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.258 g/mol  logS: -3.60714  SlogP: 3.2638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109351  Sterimol/B1: 3.62259  Sterimol/B2: 3.62366  Sterimol/B3: 5.01777
  Sterimol/B4: 5.02667  Sterimol/L: 12.4317 
 
 Surface and Volume Properties
  Accessible surface: 436.566  Positive charged surface: 242.001  Negative charged surface: 194.566  Volume: 228.125
  Hydrophobic surface: 356.72  Hydrophilic surface: 79.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.