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PUBCHEM-ZINC05700998

 MMsINC code: MMs03353245
Type: Neutral
Formula: C12H10O8
SMILES:   O(C(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(OC)=O)C
InChI:   InChI=1/C12H10O8/c1-19-11(17)7-3-6(10(15)16)8(12(18)20-2)4-5(7)9(13)14/h3-4H,1-2H3,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=67.4562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.204 g/mol  logS: -2.08714  SlogP: 0.6562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023905  Sterimol/B1: 2.79321  Sterimol/B2: 3.26626  Sterimol/B3: 4.99366
  Sterimol/B4: 6.49408  Sterimol/L: 14.0942 
 
 Surface and Volume Properties
  Accessible surface: 475.895  Positive charged surface: 327.742  Negative charged surface: 148.154  Volume: 228.875
  Hydrophobic surface: 246.985  Hydrophilic surface: 228.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03353246
PUBCHEM-ZINC05700998