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ASINEX-ZINC00265963

 MMsINC code: MMs00103017
Type: Ionized
Formula: C9H5ClNO4-
SMILES:   Clc1cc2OC(=O)N(c2cc1)CC(=O)[O-]
InChI:   InChI=1/C9H6ClNO4/c10-5-1-2-6-7(3-5)15-9(14)11(6)4-8(12)13/h1-3H,4H2,(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=38.0222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.595 g/mol  logS: -3.04695  SlogP: 0.4087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669421  Sterimol/B1: 2.73644  Sterimol/B2: 2.74655  Sterimol/B3: 3.71921
  Sterimol/B4: 5.93369  Sterimol/L: 11.4615 
 
 Surface and Volume Properties
  Accessible surface: 379.544  Positive charged surface: 146.327  Negative charged surface: 233.217  Volume: 176.125
  Hydrophobic surface: 225.514  Hydrophilic surface: 154.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00103016
ASINEX-ZINC00265963