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PUBCHEM-ZINC02033335

 MMsINC code: MMs02859881
Type: Neutral
Formula: C15H13ClO3
SMILES:   Clc1ccc(cc1)-c1cc(ccc1OC)CC(O)=O
InChI:   InChI=1/C15H13ClO3/c1-19-14-7-2-10(9-15(17)18)8-13(14)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.719 g/mol  logS: -4.6268  SlogP: 3.64267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106722  Sterimol/B1: 1.99306  Sterimol/B2: 3.16587  Sterimol/B3: 3.58354
  Sterimol/B4: 8.15895  Sterimol/L: 14.485 
 
 Surface and Volume Properties
  Accessible surface: 501.717  Positive charged surface: 283.54  Negative charged surface: 214.029  Volume: 254
  Hydrophobic surface: 405.781  Hydrophilic surface: 95.936
 
 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


MMs02859882
PUBCHEM-ZINC02033335