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INDOFINE-ZINC02390752

MMsINC code: MMs02091571

Type: Neutral
Formula: C10H10O4
SMILES:   O(C(=O)C)c1cc(C(=O)C)c(O)cc1
InChI:   InChI=1/C10H10O4/c1-6(11)9-5-8(14-7(2)12)3-4-10(9)13/h3-5,13H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=57.4511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.186 g/mol  logS: -1.68872  SlogP: 1.5201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399021  Sterimol/B1: 2.07655  Sterimol/B2: 2.41729  Sterimol/B3: 3.20075
  Sterimol/B4: 7.39176  Sterimol/L: 11.7223 
 
 Surface and Volume Properties
  Accessible surface: 393.143  Positive charged surface: 227.127  Negative charged surface: 166.016  Volume: 177.75
  Hydrophobic surface: 273.297  Hydrophilic surface: 119.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.