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


NCID-ZINC01720889

 MMsINC code: MMs02345791
Type: Neutral
Formula: C4H13NO3P+
SMILES:   P(O)(O)(=O)C[N+](C)(C)C
InChI:   InChI=1/C4H12NO3P/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H-,6,7,8)/p+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)=23.7179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.126 g/mol  logS: 1.60597  SlogP: -1.2424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.32743  Sterimol/B1: 2.06667  Sterimol/B2: 3.02509  Sterimol/B3: 3.50235
  Sterimol/B4: 4.74872  Sterimol/L: 9.67934 
 
 Surface and Volume Properties
  Accessible surface: 313.518  Positive charged surface: 249.356  Negative charged surface: 64.1625  Volume: 137
  Hydrophobic surface: 142.714  Hydrophilic surface: 170.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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.