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PUBCHEM-ZINC00264194

 MMsINC code: MMs02647853
Type: Neutral
Formula: C16H12ClNO2
SMILES:   Clc1cc(-c2onc(c2)-c2ccc(cc2)C)c(O)cc1
InChI:   InChI=1/C16H12ClNO2/c1-10-2-4-11(5-3-10)14-9-16(20-18-14)13-8-12(17)6-7-15(13)19/h2-9,19H,1H3

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Potential Energy
Epot(MMFF94)=72.6702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.73 g/mol  logS: -5.66785  SlogP: 4.67602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235945  Sterimol/B1: 2.56169  Sterimol/B2: 3.41994  Sterimol/B3: 4.58248
  Sterimol/B4: 4.67338  Sterimol/L: 16.4186 
 
 Surface and Volume Properties
  Accessible surface: 515.501  Positive charged surface: 242.719  Negative charged surface: 272.781  Volume: 261.25
  Hydrophobic surface: 442.96  Hydrophilic surface: 72.541
 
 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.