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PUBCHEM-ZINC05999098

 MMsINC code: MMs03483174
Type: Neutral
Formula: C20H24O7
SMILES:   O1CC(C(O)c2cc(OC)c(O)cc2)C(Cc2cc(OC)c(O)cc2)C1O
InChI:   InChI=1/C20H24O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19-24H,7,10H2,1-2H3/t13-,14-,19-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.405 g/mol  logS: -2.48446  SlogP: 2.06757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622251  Sterimol/B1: 2.47546  Sterimol/B2: 3.18585  Sterimol/B3: 3.88587
  Sterimol/B4: 8.1269  Sterimol/L: 17.3604 
 
 Surface and Volume Properties
  Accessible surface: 623.043  Positive charged surface: 468.628  Negative charged surface: 154.416  Volume: 344.875
  Hydrophobic surface: 439.054  Hydrophilic surface: 183.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.