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NCID-ZINC00337758

 MMsINC code: MMs02214241
Type: Neutral
Formula: C10H10O6
SMILES:   Oc1c(O)c(ccc1C(OC)=O)C(OC)=O
InChI:   InChI=1/C10H10O6/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h3-4,11-12H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.3397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.184 g/mol  logS: -1.42444  SlogP: 0.671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153984  Sterimol/B1: 2.37754  Sterimol/B2: 2.47054  Sterimol/B3: 2.51732
  Sterimol/B4: 5.27966  Sterimol/L: 13.9023 
 
 Surface and Volume Properties
  Accessible surface: 427.075  Positive charged surface: 321.548  Negative charged surface: 105.527  Volume: 195
  Hydrophobic surface: 275.082  Hydrophilic surface: 151.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.