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CHEMDIV-ZINC06732847

 MMsINC code: MMs01004363
Type: Neutral
Formula: C15H12ClNO2
SMILES:   Clc1cc2c(noc2-c2ccccc2OCC)cc1
InChI:   InChI=1/C15H12ClNO2/c1-2-18-14-6-4-3-5-11(14)15-12-9-10(16)7-8-13(12)17-19-15/h3-9H,2H2,1H3

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Potential Energy
Epot(MMFF94)=89.5398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.719 g/mol  logS: -5.38497  SlogP: 4.5469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644342  Sterimol/B1: 1.969  Sterimol/B2: 3.52683  Sterimol/B3: 3.83069
  Sterimol/B4: 8.40818  Sterimol/L: 13.0854 
 
 Surface and Volume Properties
  Accessible surface: 495.539  Positive charged surface: 250.358  Negative charged surface: 240.21  Volume: 250.25
  Hydrophobic surface: 433.369  Hydrophilic surface: 62.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.