logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03954077

 MMsINC code: MMs03085115
Type: Neutral
Formula: C26H38O6
SMILES:   O1C2(C(OC1(C)C)CC1C3C(CCC12C)C1(C(CC(O)CC1)=CC3)C)C(=O)COC(=
O)C
InChI:   InChI=1/C26H38O6/c1-15(27)30-14-21(29)26-22(31-23(2,3)32-26)13-20-18-7-6-16-12-17(28)8-10-24(16,4)19(18)9-11-25(20,26)5/h6,17-20,22,28H,7-14H2,1-5H3/t17-,18-,19+,20-,22+,24-,25-,26+/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=166.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.584 g/mol  logS: -5.50888  SlogP: 3.9425  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126301  Sterimol/B1: 2.18035  Sterimol/B2: 3.95995  Sterimol/B3: 4.20111
  Sterimol/B4: 10.0102  Sterimol/L: 17.2642 
 
 Surface and Volume Properties
  Accessible surface: 672.84  Positive charged surface: 462.128  Negative charged surface: 210.711  Volume: 434.25
  Hydrophobic surface: 478.3  Hydrophilic surface: 194.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.