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PUBCHEM-ZINC00875132

 MMsINC code: MMs02740714
Type: Ionized
Formula: C11H7ClNO2-
SMILES:   Clc1cc2nc(cc(c2cc1)C(=O)[O-])C
InChI:   InChI=1/C11H8ClNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.0039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.635 g/mol  logS: -3.25095  SlogP: 1.56012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0196098  Sterimol/B1: 2.48137  Sterimol/B2: 2.51108  Sterimol/B3: 3.17493
  Sterimol/B4: 6.54394  Sterimol/L: 11.4509 
 
 Surface and Volume Properties
  Accessible surface: 393.528  Positive charged surface: 159.211  Negative charged surface: 229.433  Volume: 191.125
  Hydrophobic surface: 295.418  Hydrophilic surface: 98.11
 
 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:


MMs02740713
PUBCHEM-ZINC00875132