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


PUBCHEM-ZINC01995632

 MMsINC code: MMs02838819
Type: Neutral
Formula: C4H10NO5P
SMILES:   P(O)(O)(=O)C(N)(CC(O)=O)C
InChI:   InChI=1/C4H10NO5P/c1-4(5,2-3(6)7)11(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)/t4-/m1/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)=-8.24257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.1 g/mol  logS: 1.12669  SlogP: -1.7565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290799  Sterimol/B1: 2.0257  Sterimol/B2: 2.99577  Sterimol/B3: 4.17317
  Sterimol/B4: 5.21124  Sterimol/L: 10.6469 
 
 Surface and Volume Properties
  Accessible surface: 326.667  Positive charged surface: 188.502  Negative charged surface: 138.165  Volume: 142
  Hydrophobic surface: 63.6145  Hydrophilic surface: 263.0525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  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


MMs02838820
PUBCHEM-ZINC01995632