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PUBCHEM-ZINC00506064

 MMsINC code: MMs02695231
Type: Neutral
Formula: C10H8O4
SMILES:   o1c2cc(OC)ccc2cc1C(O)=O
InChI:   InChI=1/C10H8O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.17 g/mol  logS: -3.00291  SlogP: 2.1396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00719754  Sterimol/B1: 2.37451  Sterimol/B2: 2.37559  Sterimol/B3: 3.47113
  Sterimol/B4: 4.44611  Sterimol/L: 13.6001 
 
 Surface and Volume Properties
  Accessible surface: 380.755  Positive charged surface: 234.493  Negative charged surface: 140.726  Volume: 171.625
  Hydrophobic surface: 256.156  Hydrophilic surface: 124.599
 
 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


MMs02695232
PUBCHEM-ZINC00506064