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


PUBCHEM-ZINC04096218

 MMsINC code: MMs03089798
Type: Neutral
Formula: C19H30O
SMILES:   OC1CC2=CCC3C(CCC4(C3CCC4)C)C2(CC1)C
InChI:   InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15-,16-,17+,18+,19-/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)=108.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -6.21519  SlogP: 4.7002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179836  Sterimol/B1: 1.969  Sterimol/B2: 3.43547  Sterimol/B3: 4.16409
  Sterimol/B4: 6.27739  Sterimol/L: 13.7676 
 
 Surface and Volume Properties
  Accessible surface: 482.678  Positive charged surface: 368.074  Negative charged surface: 114.605  Volume: 292.875
  Hydrophobic surface: 392.018  Hydrophilic surface: 90.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.