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


PUBCHEM-ZINC06481885

 MMsINC code: MMs03758247
Type: Neutral
Formula: C15H31N3
SMILES:   N(C(CCN1CCCCC1)CN1CCCCC1)C
InChI:   InChI=1/C15H31N3/c1-16-15(14-18-11-6-3-7-12-18)8-13-17-9-4-2-5-10-17/h15-16H,2-14H2,1H3/t15-/m1/s1

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)=37.9361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.434 g/mol  logS: -0.86333  SlogP: 1.9363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626907  Sterimol/B1: 2.0129  Sterimol/B2: 2.49049  Sterimol/B3: 4.72019
  Sterimol/B4: 5.65649  Sterimol/L: 16.5899 
 
 Surface and Volume Properties
  Accessible surface: 532.625  Positive charged surface: 472.377  Negative charged surface: 60.2483  Volume: 288.125
  Hydrophobic surface: 512.769  Hydrophilic surface: 19.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03758248
PUBCHEM-ZINC06481885