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NCID-ZINC01558384

 MMsINC code: MMs02221362
Type: Neutral
Formula: C14H13NO2
SMILES:   O(Cc1ccccc1)C(=O)Nc1ccccc1
InChI:   InChI=1/C14H13NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=40.9196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.263 g/mol  logS: -3.43169  SlogP: 3.7017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414988  Sterimol/B1: 2.78452  Sterimol/B2: 3.47871  Sterimol/B3: 3.76665
  Sterimol/B4: 4.00803  Sterimol/L: 16.2371 
 
 Surface and Volume Properties
  Accessible surface: 474.516  Positive charged surface: 271.899  Negative charged surface: 202.617  Volume: 226.25
  Hydrophobic surface: 409.025  Hydrophilic surface: 65.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.