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PUBCHEM-ZINC05200305

 MMsINC code: MMs03223533
Type: Neutral
Formula: C23H34O7
SMILES:   O1C(COC1(C)C)C1OC2OC(OC2C1OCc1ccc(OCC(C)C)cc1)(C)C
InChI:   InChI=1/C23H34O7/c1-14(2)11-24-16-9-7-15(8-10-16)12-25-19-18(17-13-26-22(3,4)28-17)27-21-20(19)29-23(5,6)30-21/h7-10,14,17-21H,11-13H2,1-6H3/t17-,18-,19-,20+,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.518 g/mol  logS: -4.74342  SlogP: 3.9009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509685  Sterimol/B1: 2.68513  Sterimol/B2: 4.63866  Sterimol/B3: 6.14915
  Sterimol/B4: 7.95822  Sterimol/L: 18.1624 
 
 Surface and Volume Properties
  Accessible surface: 748.714  Positive charged surface: 521.898  Negative charged surface: 226.816  Volume: 416.375
  Hydrophobic surface: 561.905  Hydrophilic surface: 186.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.