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


NCID-ZINC01720884

 MMsINC code: MMs02345786
Type: Neutral
Formula: C7H19NO3P+
SMILES:   P(O)(O)(=O)C([N+](C)(C)C)C(C)C
InChI:   InChI=1/C7H18NO3P/c1-6(2)7(8(3,4)5)12(9,10)11/h6-7H,1-5H3,(H-,9,10,11)/p+1/t7-/m0/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)=100.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.207 g/mol  logS: 0.69999  SlogP: -0.2178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.402859  Sterimol/B1: 2.53862  Sterimol/B2: 3.0865  Sterimol/B3: 4.59214
  Sterimol/B4: 5.24038  Sterimol/L: 9.30477 
 
 Surface and Volume Properties
  Accessible surface: 355.982  Positive charged surface: 276.413  Negative charged surface: 79.5691  Volume: 182.75
  Hydrophobic surface: 180.132  Hydrophilic surface: 175.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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.