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MICROSOURCE-ZINC03197732

 MMsINC code: MMs02188038
Type: Neutral
Formula: C12H8O4
SMILES:   O1c2c(cc(OC)c3occc23)C=CC1=O
InChI:   InChI=1/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.5574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.192 g/mol  logS: -4.26671  SlogP: 2.3736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116525  Sterimol/B1: 2.37437  Sterimol/B2: 2.37572  Sterimol/B3: 3.0278
  Sterimol/B4: 7.56075  Sterimol/L: 12.2905 
 
 Surface and Volume Properties
  Accessible surface: 397.486  Positive charged surface: 224.299  Negative charged surface: 166.802  Volume: 189.5
  Hydrophobic surface: 312.81  Hydrophilic surface: 84.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.