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NCID-ZINC01852051

 MMsINC code: MMs02371703
Type: Ionized
Formula: C10H6Cl2NO2-
SMILES:   Clc1c2c([nH]cc2CC(=O)[O-])c(Cl)cc1
InChI:   InChI=1/C10H7Cl2NO2/c11-6-1-2-7(12)10-9(6)5(4-13-10)3-8(14)15/h1-2,4,13H,3H2,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=37.49 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.069 g/mol  logS: -3.43468  SlogP: 1.76707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640061  Sterimol/B1: 2.64609  Sterimol/B2: 3.31127  Sterimol/B3: 3.31803
  Sterimol/B4: 5.88174  Sterimol/L: 11.3672 
 
 Surface and Volume Properties
  Accessible surface: 390.137  Positive charged surface: 137.48  Negative charged surface: 248.123  Volume: 192.875
  Hydrophobic surface: 269.158  Hydrophilic surface: 120.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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:


MMs02371702
NCID-ZINC01852051