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


NCID-ZINC05437138

 MMsINC code: MMs02461716
Type: Neutral
Formula: C30H48O4
SMILES:   OC1CCC2(C(CCC3(C2C=CC2=C4CC(CCC4(CO)C(O)CC23C)(C)C)C)C1(CO)C
)C
InChI:   InChI=1/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22+,23+,24+,26+,27+,28+,29-,30-/m1/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)=296.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.71 g/mol  logS: -6.78627  SlogP: 5.0046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125875  Sterimol/B1: 2.9549  Sterimol/B2: 3.22642  Sterimol/B3: 5.70014
  Sterimol/B4: 7.25983  Sterimol/L: 17.0052 
 
 Surface and Volume Properties
  Accessible surface: 666.032  Positive charged surface: 513.279  Negative charged surface: 152.753  Volume: 481.625
  Hydrophobic surface: 426.802  Hydrophilic surface: 239.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.