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ACROSORGANICS-ZINC00152811

 MMsINC code: MMs00004666
Type: Ionized
Formula: C7H5ClNO2-
SMILES:   Clc1cc(N)c(cc1)C(=O)[O-]
InChI:   InChI=1/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.8227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.575 g/mol  logS: -2.0699  SlogP: 0.2857  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.42067e-08  Sterimol/B1: 2.09716  Sterimol/B2: 2.09769  Sterimol/B3: 3.22001
  Sterimol/B4: 4.98521  Sterimol/L: 10.4647 
 
 Surface and Volume Properties
  Accessible surface: 319.31  Positive charged surface: 127.249  Negative charged surface: 192.061  Volume: 140.625
  Hydrophobic surface: 190  Hydrophilic surface: 129.31
 
 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:


MMs00004665
ACROSORGANICS-ZINC00152811