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


PUBCHEM-ZINC05599358

 MMsINC code: MMs03319371
Type: Neutral
Formula: C29H50O2
SMILES:   OC1CC2=CCC3C4CCC(C(C(O)CC(C(C)C)CC)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24-,25-,26+,27-,28-,29+/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)=236.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.717 g/mol  logS: -9.08238  SlogP: 6.9956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847565  Sterimol/B1: 2.03622  Sterimol/B2: 3.86747  Sterimol/B3: 5.77722
  Sterimol/B4: 6.88122  Sterimol/L: 19.5851 
 
 Surface and Volume Properties
  Accessible surface: 691.404  Positive charged surface: 509.177  Negative charged surface: 182.228  Volume: 467.125
  Hydrophobic surface: 526.094  Hydrophilic surface: 165.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.