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


NCID-ZINC05884732

 MMsINC code: MMs02509704
Type: Neutral
Formula: C19H27NO
SMILES:   Oc1cc2c(CC3CCCC4N(CCC2(C)C34C)C)cc1
InChI:   InChI=1/C19H27NO/c1-18-9-10-20(3)17-6-4-5-14(19(17,18)2)11-13-7-8-15(21)12-16(13)18/h7-8,12,14,17,21H,4-6,9-11H2,1-3H3/t14-,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)=122.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.431 g/mol  logS: -3.61559  SlogP: 3.71647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.493253  Sterimol/B1: 2.30274  Sterimol/B2: 2.58134  Sterimol/B3: 6.63382
  Sterimol/B4: 7.01928  Sterimol/L: 12.3015 
 
 Surface and Volume Properties
  Accessible surface: 470.089  Positive charged surface: 359.225  Negative charged surface: 110.864  Volume: 295.25
  Hydrophobic surface: 389.124  Hydrophilic surface: 80.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02509705
NCID-ZINC05884732