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NCID-ZINC05941939

 MMsINC code: MMs02512709
Type: Neutral
Formula: C23H22O10
SMILES:   O1c2c(cc3OCOc3c2)C(C2C1(OC)COC2=O)c1cc(OC)c(OC(=O)C)c(OC)c1
InChI:   InChI=1/C23H22O10/c1-11(24)32-21-17(26-2)5-12(6-18(21)27-3)19-13-7-15-16(31-10-30-15)8-14(13)33-23(28-4)9-29-22(25)20(19)23/h5-8,19-20H,9-10H2,1-4H3/t19-,20+,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.419 g/mol  logS: -4.18306  SlogP: 2.3978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182885  Sterimol/B1: 3.43186  Sterimol/B2: 5.79908  Sterimol/B3: 5.84968
  Sterimol/B4: 6.59858  Sterimol/L: 15.5484 
 
 Surface and Volume Properties
  Accessible surface: 670.177  Positive charged surface: 508.915  Negative charged surface: 161.262  Volume: 393.875
  Hydrophobic surface: 525.518  Hydrophilic surface: 144.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.