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


NCID-ZINC04900139

 MMsINC code: MMs02414742
Type: Neutral
Formula: C19H26O2
SMILES:   O(C)c1cc2CCC3C4CC(O)CC4(CCC3c2cc1)C
InChI:   InChI=1/C19H26O2/c1-19-8-7-16-15-6-4-14(21-2)9-12(15)3-5-17(16)18(19)10-13(20)11-19/h4,6,9,13,16-18,20H,3,5,7-8,10-11H2,1-2H3/t13-,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)=90.6095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.415 g/mol  logS: -5.25762  SlogP: 3.91217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124319  Sterimol/B1: 2.00233  Sterimol/B2: 3.18132  Sterimol/B3: 5.81684
  Sterimol/B4: 6.52597  Sterimol/L: 15.3057 
 
 Surface and Volume Properties
  Accessible surface: 512.867  Positive charged surface: 392.375  Negative charged surface: 120.491  Volume: 298.5
  Hydrophobic surface: 434.806  Hydrophilic surface: 78.061
 
 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.