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


NCID-ZINC05845533

MMsINC code: MMs02506581

Type: Neutral
Formula: C17H30N2
SMILES:   N(CC1CCCN(C1)C)C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C17H30N2/c1-19-4-2-3-12(11-19)10-18-17-15-6-13-5-14(8-15)9-16(17)7-13/h12-18H,2-11H2,1H3/t12-,13-,14+,15-,16+,17-/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)=31.6937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.441 g/mol  logS: -2.58512  SlogP: 2.7425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10623  Sterimol/B1: 2.06869  Sterimol/B2: 3.67377  Sterimol/B3: 4.08849
  Sterimol/B4: 6.71724  Sterimol/L: 14.1058 
 
 Surface and Volume Properties
  Accessible surface: 503.832  Positive charged surface: 444.463  Negative charged surface: 59.3689  Volume: 289.5
  Hydrophobic surface: 492.57  Hydrophilic surface: 11.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02506582
NCID-ZINC05845533