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NCID-ZINC05663092

 MMsINC code: MMs02484046
Type: Neutral
Formula: C23H26O8
SMILES:   O1CC2C(COC2c2cc(OC)c3OCOc3c2)C1c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20-,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.453 g/mol  logS: -4.01858  SlogP: 3.7159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420248  Sterimol/B1: 2.68984  Sterimol/B2: 3.684  Sterimol/B3: 3.97784
  Sterimol/B4: 7.99172  Sterimol/L: 18.8644 
 
 Surface and Volume Properties
  Accessible surface: 671.644  Positive charged surface: 565.961  Negative charged surface: 105.684  Volume: 393
  Hydrophobic surface: 568.865  Hydrophilic surface: 102.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  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.