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


PUBCHEM-ZINC05112907

 MMsINC code: MMs03201314
Type: Neutral
Formula: C4H10NO5P
SMILES:   P(O)(O)(=O)CCCC(=O)NO
InChI:   InChI=1/C4H10NO5P/c6-4(5-7)2-1-3-11(8,9)10/h7H,1-3H2,(H,5,6)(H2,8,9,10)

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)=-16.1503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.1 g/mol  logS: 0.91334  SlogP: -1.6205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669115  Sterimol/B1: 3.02647  Sterimol/B2: 3.19318  Sterimol/B3: 3.25965
  Sterimol/B4: 3.28048  Sterimol/L: 13.1596 
 
 Surface and Volume Properties
  Accessible surface: 362.482  Positive charged surface: 214.058  Negative charged surface: 148.424  Volume: 144.375
  Hydrophobic surface: 95.1705  Hydrophilic surface: 267.3115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.