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


NCID-ZINC05179307

 MMsINC code: MMs02445719
Type: Neutral
Formula: C14H26N+
SMILES:   [NH3+]C1CCC(CC1)CC1C2CC(C1)CC2
InChI:   InChI=1/C14H25N/c15-14-5-2-10(3-6-14)7-13-9-11-1-4-12(13)8-11/h10-14H,1-9,15H2/p+1/t10-,11-,12+,13+,14-/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)=37.4041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.369 g/mol  logS: -4.64633  SlogP: 2.6134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10008  Sterimol/B1: 2.28295  Sterimol/B2: 3.526  Sterimol/B3: 3.67393
  Sterimol/B4: 5.37577  Sterimol/L: 13.7137 
 
 Surface and Volume Properties
  Accessible surface: 450.986  Positive charged surface: 389.3  Negative charged surface: 61.6858  Volume: 240.125
  Hydrophobic surface: 383.676  Hydrophilic surface: 67.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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


MMs02445720
NCID-ZINC05179307