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MAYBRIDGE-ZINC00145504

 MMsINC code: MMs02140502
Type: Neutral
Formula: C15H8Cl2O2
SMILES:   Clc1ccccc1C(=O)c1oc2c(c1)cc(Cl)cc2
InChI:   InChI=1/C15H8Cl2O2/c16-10-5-6-13-9(7-10)8-14(19-13)15(18)11-3-1-2-4-12(11)17/h1-8H

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Potential Energy
Epot(MMFF94)=72.0636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.133 g/mol  logS: -6.52452  SlogP: 4.9706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000556722  Sterimol/B1: 2.15251  Sterimol/B2: 2.21081  Sterimol/B3: 2.55108
  Sterimol/B4: 6.4891  Sterimol/L: 15.5893 
 
 Surface and Volume Properties
  Accessible surface: 479.395  Positive charged surface: 187.257  Negative charged surface: 286.769  Volume: 247.625
  Hydrophobic surface: 450.162  Hydrophilic surface: 29.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.