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PUBCHEM-ZINC05579698

 MMsINC code: MMs03313044
Type: Ionized
Formula: C11H7ClNO2-
SMILES:   Clc1ccc(cc1)-c1[nH]c(cc1)C(=O)[O-]
InChI:   InChI=1/C11H8ClNO2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-6,13H,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.6496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.635 g/mol  logS: -3.34034  SlogP: 1.6986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203371  Sterimol/B1: 2.1658  Sterimol/B2: 2.74921  Sterimol/B3: 2.80411
  Sterimol/B4: 5.13799  Sterimol/L: 14.268 
 
 Surface and Volume Properties
  Accessible surface: 405.621  Positive charged surface: 151.781  Negative charged surface: 253.84  Volume: 191.75
  Hydrophobic surface: 287.254  Hydrophilic surface: 118.367
 
 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:


MMs03313043
PUBCHEM-ZINC05579698