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


MDPI-ZINC03845579

 MMsINC code: MMs02178919
Type: Neutral
Formula: C10H18N4
SMILES:   Nc1cc(cc(N)c1CCN)CCN
InChI:   InChI=1/C10H18N4/c11-3-1-7-5-9(13)8(2-4-12)10(14)6-7/h5-6H,1-4,11-14H2

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)=47.8397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.282 g/mol  logS: -0.27942  SlogP: -0.14666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911021  Sterimol/B1: 2.12813  Sterimol/B2: 3.35825  Sterimol/B3: 3.75863
  Sterimol/B4: 5.75734  Sterimol/L: 13.774 
 
 Surface and Volume Properties
  Accessible surface: 426.862  Positive charged surface: 336.66  Negative charged surface: 90.2022  Volume: 203.125
  Hydrophobic surface: 198.76  Hydrophilic surface: 228.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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


MMs02178920
MDPI-ZINC03845579