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CHEMBRIDGE-ZINC00375227

 MMsINC code: MMs00611013
Type: Neutral
Formula: C9H10ClNO3
SMILES:   Clc1cc(NC(OC)=O)c(OC)cc1
InChI:   InChI=1/C9H10ClNO3/c1-13-8-4-3-6(10)5-7(8)11-9(12)14-2/h3-5H,1-2H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=39.5583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.636 g/mol  logS: -2.44846  SlogP: 2.5269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231042  Sterimol/B1: 2.40143  Sterimol/B2: 2.57456  Sterimol/B3: 2.6111
  Sterimol/B4: 8.30052  Sterimol/L: 11.8747 
 
 Surface and Volume Properties
  Accessible surface: 418.253  Positive charged surface: 273.063  Negative charged surface: 145.19  Volume: 187.5
  Hydrophobic surface: 351.799  Hydrophilic surface: 66.454
 
 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.