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NCID-ZINC05939672

 MMsINC code: MMs02512065
Type: Neutral
Formula: C24H24O8
SMILES:   O(C(=O)\C=C\c1cc(O)c(O)cc1)C1CCCCC1OC(=O)\C=C\c1cc(O)c(O)cc1
InChI:   InChI=1/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.448 g/mol  logS: -4.46244  SlogP: 3.6332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600707  Sterimol/B1: 2.84035  Sterimol/B2: 4.52508  Sterimol/B3: 4.75794
  Sterimol/B4: 10.0199  Sterimol/L: 19.5194 
 
 Surface and Volume Properties
  Accessible surface: 760.898  Positive charged surface: 453.792  Negative charged surface: 307.106  Volume: 405.5
  Hydrophobic surface: 503.899  Hydrophilic surface: 256.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.