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PUBCHEM-ZINC04100636

 MMsINC code: MMs03091565
Type: Ionized
Formula: C10H7O3-
SMILES:   o1c2c(cc1C)c(ccc2)C(=O)[O-]
InChI:   InChI=1/C10H8O3/c1-6-5-8-7(10(11)12)3-2-4-9(8)13-6/h2-5H,1H3,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.163 g/mol  logS: -3.37345  SlogP: 1.10472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132891  Sterimol/B1: 2.37192  Sterimol/B2: 2.37335  Sterimol/B3: 4.56672
  Sterimol/B4: 4.89459  Sterimol/L: 10.5462 
 
 Surface and Volume Properties
  Accessible surface: 355.679  Positive charged surface: 167.632  Negative charged surface: 182.482  Volume: 162.5
  Hydrophobic surface: 261.217  Hydrophilic surface: 94.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs03091564
PUBCHEM-ZINC04100636