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


NCID-ZINC01869727

 MMsINC code: MMs02375784
Type: Neutral
Formula: C8H20N3OPS
SMILES:   S=P(N(C)C)(N(C)C)N1CCOCC1
InChI:   InChI=1/C8H20N3OPS/c1-9(2)13(14,10(3)4)11-5-7-12-8-6-11/h5-8H2,1-4H3

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)=41.5284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.308 g/mol  logS: 0.03437  SlogP: 0.6663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2254  Sterimol/B1: 3.08833  Sterimol/B2: 4.14069  Sterimol/B3: 4.19929
  Sterimol/B4: 5.3089  Sterimol/L: 10.3552 
 
 Surface and Volume Properties
  Accessible surface: 407.798  Positive charged surface: 349.616  Negative charged surface: 58.1825  Volume: 226.125
  Hydrophobic surface: 349.616  Hydrophilic surface: 58.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.