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


NCID-ZINC05080280

 MMsINC code: MMs02436955
Type: Neutral
Formula: C19H26O2
SMILES:   OC1CC2=CC=C3C4CCC(=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,13,15-16,20H,5-11H2,1-2H3/t13-,15-,16+,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)=115.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.415 g/mol  logS: -2.80148  SlogP: 3.7993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127377  Sterimol/B1: 2.594  Sterimol/B2: 3.42823  Sterimol/B3: 4.6885
  Sterimol/B4: 5.38497  Sterimol/L: 14.0205 
 
 Surface and Volume Properties
  Accessible surface: 486.966  Positive charged surface: 336.474  Negative charged surface: 150.492  Volume: 295.75
  Hydrophobic surface: 366.879  Hydrophilic surface: 120.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.