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


PUBCHEM-ZINC03096044

 MMsINC code: MMs02992949
Type: Neutral
Formula: C3H10NO3P
SMILES:   P(O)(O)(=O)CNCC
InChI:   InChI=1/C3H10NO3P/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)

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)=-15.7932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.091 g/mol  logS: 1.27933  SlogP: -1.3391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1493  Sterimol/B1: 3.19186  Sterimol/B2: 3.24872  Sterimol/B3: 3.35973
  Sterimol/B4: 3.72524  Sterimol/L: 10.2831 
 
 Surface and Volume Properties
  Accessible surface: 306.689  Positive charged surface: 200.851  Negative charged surface: 105.837  Volume: 119.625
  Hydrophobic surface: 133.949  Hydrophilic surface: 172.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.