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PUBCHEM-ZINC02525474

 MMsINC code: MMs02893520
Type: Neutral
Formula: C7H5ClO3
SMILES:   Clc1ccc(O)cc1C(O)=O
InChI:   InChI=1/C7H5ClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.7002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.567 g/mol  logS: -1.72662  SlogP: 1.7438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00815739  Sterimol/B1: 2.14691  Sterimol/B2: 2.27264  Sterimol/B3: 4.14067
  Sterimol/B4: 4.39685  Sterimol/L: 9.58782 
 
 Surface and Volume Properties
  Accessible surface: 320.809  Positive charged surface: 156.054  Negative charged surface: 164.756  Volume: 138
  Hydrophobic surface: 182.939  Hydrophilic surface: 137.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02893521
PUBCHEM-ZINC02525474