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


ENAMINE-ZINC03202661

 MMsINC code: MMs01304839
Type: Neutral
Formula: C15H32N4OP+
SMILES:   P(=O)(N(CC)CC)(N(CC)CC)c1[n+](ccn1CC)CC
InChI:   InChI=1/C15H32N4OP/c1-7-16-13-14-17(8-2)15(16)21(20,18(9-3)10-4)19(11-5)12-6/h13-14H,7-12H2,1-6H3/q+1

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)=183.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.422 g/mol  logS: -1.40471  SlogP: 1.78  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282178  Sterimol/B1: 3.048  Sterimol/B2: 4.91081  Sterimol/B3: 5.54738
  Sterimol/B4: 6.40354  Sterimol/L: 11.5781 
 
 Surface and Volume Properties
  Accessible surface: 506.535  Positive charged surface: 388.134  Negative charged surface: 118.401  Volume: 325.625
  Hydrophobic surface: 346.735  Hydrophilic surface: 159.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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: no related molecules available.