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


NCID-ZINC05566964

 MMsINC code: MMs02475803
Type: Neutral
Formula: C14H30N4
SMILES:   N(CCNC1CCCCC1N)C1CCCCC1N
InChI:   InChI=1/C14H30N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h11-14,17-18H,1-10,15-16H2/t11-,12+,13-,14-/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)=37.7199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.422 g/mol  logS: -0.41898  SlogP: 0.7054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697118  Sterimol/B1: 3.35309  Sterimol/B2: 3.69921  Sterimol/B3: 3.95169
  Sterimol/B4: 5.15683  Sterimol/L: 16.6417 
 
 Surface and Volume Properties
  Accessible surface: 535.893  Positive charged surface: 456.224  Negative charged surface: 79.6689  Volume: 280.5
  Hydrophobic surface: 409.727  Hydrophilic surface: 126.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02475804
NCID-ZINC05566964


MMs02475805
NCID-ZINC05566964