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


NCID-ZINC05215408

 MMsINC code: MMs02449584
Type: Neutral
Formula: C30H52O
SMILES:   OC1CC2CCC3C4CCC(C(CCCC(C)C)C)C4(CCC3C2(CC1CC=C)C)C
InChI:   InChI=1/C30H52O/c1-7-9-22-19-30(6)23(18-28(22)31)12-13-24-26-15-14-25(21(4)11-8-10-20(2)3)29(26,5)17-16-27(24)30/h7,20-28,31H,1,8-19H2,2-6H3/t21-,22+,23+,24-,25-,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)=197.254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.745 g/mol  logS: -12.2522  SlogP: 8.2708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528466  Sterimol/B1: 2.05554  Sterimol/B2: 5.5137  Sterimol/B3: 5.60421
  Sterimol/B4: 5.80415  Sterimol/L: 21.278 
 
 Surface and Volume Properties
  Accessible surface: 739.754  Positive charged surface: 545.645  Negative charged surface: 194.109  Volume: 480.5
  Hydrophobic surface: 564.993  Hydrophilic surface: 174.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.