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


ASINEX-ZINC03897583

 MMsINC code: MMs00292550
Type: Neutral
Formula: C16H30N+
SMILES:   [NH2+](C(C)(C)C)CCC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C16H29N/c1-15(2,3)17-5-4-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14,17H,4-11H2,1-3H3/p+1/t12-,13+,14-,16+

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)=43.7926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.423 g/mol  logS: -5.17456  SlogP: 2.9548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13556  Sterimol/B1: 2.39959  Sterimol/B2: 3.15044  Sterimol/B3: 4.73509
  Sterimol/B4: 4.91101  Sterimol/L: 13.9837 
 
 Surface and Volume Properties
  Accessible surface: 489.527  Positive charged surface: 403.043  Negative charged surface: 86.4839  Volume: 274.875
  Hydrophobic surface: 422.398  Hydrophilic surface: 67.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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


MMs00292551
ASINEX-ZINC03897583