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PUBCHEM-ZINC00505566

 MMsINC code: MMs02694934
Type: Neutral
Formula: C14H11ClO3
SMILES:   Clc1ccc(cc1)COc1cc(ccc1)C(O)=O
InChI:   InChI=1/C14H11ClO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.1498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.692 g/mol  logS: -3.90685  SlogP: 3.8836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645035  Sterimol/B1: 2.52676  Sterimol/B2: 3.61815  Sterimol/B3: 3.6191
  Sterimol/B4: 6.2917  Sterimol/L: 16.4914 
 
 Surface and Volume Properties
  Accessible surface: 484.224  Positive charged surface: 230.984  Negative charged surface: 253.24  Volume: 239.75
  Hydrophobic surface: 379.141  Hydrophilic surface: 105.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02694935
PUBCHEM-ZINC00505566