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PUBCHEM-ZINC02004725

 MMsINC code: MMs02845415
Type: Ionized
Formula: C14H10ClO3-
SMILES:   Clc1ccc(cc1)-c1cc(cc(O)c1)CC(=O)[O-]
InChI:   InChI=1/C14H11ClO3/c15-12-3-1-10(2-4-12)11-5-9(7-14(17)18)6-13(16)8-11/h1-6,8,16H,7H2,(H,17,18)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.4543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.684 g/mol  logS: -4.47492  SlogP: 2.00497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935094  Sterimol/B1: 2.98816  Sterimol/B2: 4.03025  Sterimol/B3: 4.33757
  Sterimol/B4: 5.77055  Sterimol/L: 13.7716 
 
 Surface and Volume Properties
  Accessible surface: 467.633  Positive charged surface: 199.944  Negative charged surface: 262.997  Volume: 235.125
  Hydrophobic surface: 334.024  Hydrophilic surface: 133.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs02845414
PUBCHEM-ZINC02004725