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


NCID-ZINC04769034

 MMsINC code: MMs02401766
Type: Neutral
Formula: C19H26O2
SMILES:   OC1CCC2C3C(=CCC12C)C1(C(=CC(=O)CC1)CC3)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/h8,11,14-15,17,21H,3-7,9-10H2,1-2H3/t14-,15-,17+,18-,19-/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)=92.3481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.415 g/mol  logS: -3.43478  SlogP: 3.7993  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162725  Sterimol/B1: 1.969  Sterimol/B2: 3.90292  Sterimol/B3: 4.97646
  Sterimol/B4: 5.49497  Sterimol/L: 13.471 
 
 Surface and Volume Properties
  Accessible surface: 486.582  Positive charged surface: 340.049  Negative charged surface: 146.533  Volume: 291.875
  Hydrophobic surface: 360.481  Hydrophilic surface: 126.101
 
 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.