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IBS-ZINC04029313

 MMsINC code: MMs01875869
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.107 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: 0.0584713  Sterimol/B1: 3.25301  Sterimol/B2: 4.75941  Sterimol/B3: 6.07429
  Sterimol/B4: 7.61287  Sterimol/L: 19.0304 
 
 Surface and Volume Properties
  Accessible surface: 724.057  Positive charged surface: 521.676  Negative charged surface: 202.381  Volume: 419.125
  Hydrophobic surface: 554.021  Hydrophilic surface: 170.036
 
 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.