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NCID-ZINC05811299

 MMsINC code: MMs02500724
Type: Neutral
Formula: C24H24O6
SMILES:   O1C(C)C(OC1c1c2CC(Oc2c2c(c1OC)C(=O)c1c(cccc1)C2=O)(C)C)C
InChI:   InChI=1/C24H24O6/c1-11-12(2)29-23(28-11)16-15-10-24(3,4)30-21(15)17-18(22(16)27-5)20(26)14-9-7-6-8-13(14)19(17)25/h6-9,11-12,23H,10H2,1-5H3/t11-,12+,23+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.45 g/mol  logS: -5.76688  SlogP: 4.10197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534856  Sterimol/B1: 2.87875  Sterimol/B2: 3.16674  Sterimol/B3: 4.13391
  Sterimol/B4: 9.51649  Sterimol/L: 16.9067 
 
 Surface and Volume Properties
  Accessible surface: 632.302  Positive charged surface: 434.144  Negative charged surface: 198.157  Volume: 378.5
  Hydrophobic surface: 485.533  Hydrophilic surface: 146.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.