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


PUBCHEM-ZINC06036207

 MMsINC code: MMs03505998
Type: Neutral
Formula: C24H38O2
SMILES:   OC(=O)CCC(C)C1CCC2C3C(CCC12C)C1(C(CC3)C=CCC1)C
InChI:   InChI=1/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4,6,16-21H,5,7-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19+,20+,21+,23+,24-/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)=146.457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.566 g/mol  logS: -9.04265  SlogP: 6.3123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160777  Sterimol/B1: 3.35164  Sterimol/B2: 4.2845  Sterimol/B3: 5.14953
  Sterimol/B4: 5.42147  Sterimol/L: 16.395 
 
 Surface and Volume Properties
  Accessible surface: 584.298  Positive charged surface: 415.649  Negative charged surface: 168.649  Volume: 378.625
  Hydrophobic surface: 418.034  Hydrophilic surface: 166.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03505999
PUBCHEM-ZINC06036207