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PUBCHEM-ZINC05765165

 MMsINC code: MMs03378714
Type: Neutral
Formula: C20H14O8
SMILES:   O1C2=C(C(=O)c3c1cc(OC)cc3C)C(=O)c1c(c(O)c(OC)cc1O)C2=O
InChI:   InChI=1/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,21-22H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.324 g/mol  logS: -5.19396  SlogP: 2.33182  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0114415  Sterimol/B1: 1.969  Sterimol/B2: 2.55902  Sterimol/B3: 2.73458
  Sterimol/B4: 7.73504  Sterimol/L: 17.841 
 
 Surface and Volume Properties
  Accessible surface: 578.492  Positive charged surface: 405.4  Negative charged surface: 173.091  Volume: 320.125
  Hydrophobic surface: 386.503  Hydrophilic surface: 191.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.