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


PUBCHEM-ZINC06794614

 MMsINC code: MMs03862372
Type: Neutral
Formula: C24H40O2
SMILES:   OC1CC2CCC3C4CCC(C(CCCO)C)C4(C=CC3C2(CC1)C)C
InChI:   InChI=1/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h11,13,16-22,25-26H,4-10,12,14-15H2,1-3H3/t16-,17-,18-,19+,20+,21-,22+,23-,24+/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)=162.486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.582 g/mol  logS: -7.19256  SlogP: 5.1908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890142  Sterimol/B1: 2.6793  Sterimol/B2: 3.88435  Sterimol/B3: 4.65129
  Sterimol/B4: 7.03324  Sterimol/L: 16.5983 
 
 Surface and Volume Properties
  Accessible surface: 605.95  Positive charged surface: 467.462  Negative charged surface: 138.488  Volume: 386.875
  Hydrophobic surface: 441.477  Hydrophilic surface: 164.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.