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


NCID-ZINC01655619

 MMsINC code: MMs02294193
Type: Neutral
Formula: C13H31N3
SMILES:   N(CCN(CCN(CC)CC)C)(CC)CC
InChI:   InChI=1/C13H31N3/c1-6-15(7-2)12-10-14(5)11-13-16(8-3)9-4/h6-13H2,1-5H3

Download   format file 
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)=48.563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.412 g/mol  logS: -0.59305  SlogP: 1.6018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101878  Sterimol/B1: 2.11641  Sterimol/B2: 4.06039  Sterimol/B3: 4.69077
  Sterimol/B4: 6.67742  Sterimol/L: 14.6506 
 
 Surface and Volume Properties
  Accessible surface: 540.849  Positive charged surface: 449.622  Negative charged surface: 91.2267  Volume: 279.75
  Hydrophobic surface: 449.622  Hydrophilic surface: 91.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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


MMs02294194
NCID-ZINC01655619


MMs02294195
NCID-ZINC01655619