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


NCID-ZINC04802489

 MMsINC code: MMs02407551
Type: Neutral
Formula: C20H34O
SMILES:   OC(CCC1C2(C(CCC1=C)C(CCC2)(C)C)C)(C=C)C
InChI:   InChI=1/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19+,20-/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)=98.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -6.89855  SlogP: 5.5024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216025  Sterimol/B1: 3.99797  Sterimol/B2: 4.52752  Sterimol/B3: 4.58439
  Sterimol/B4: 5.30303  Sterimol/L: 15.0951 
 
 Surface and Volume Properties
  Accessible surface: 536.399  Positive charged surface: 362.981  Negative charged surface: 173.419  Volume: 331.375
  Hydrophobic surface: 375.235  Hydrophilic surface: 161.164
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.