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


PUBCHEM-ZINC05925630

 MMsINC code: MMs03446342
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)C(CCC(N)C(O)=O)CC
InChI:   InChI=1/C7H16NO5P/c1-2-5(14(11,12)13)3-4-6(8)7(9)10/h5-6H,2-4,8H2,1H3,(H,9,10)(H2,11,12,13)/t5-,6+/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)=-7.5995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.45926  SlogP: -0.9354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158836  Sterimol/B1: 3.00629  Sterimol/B2: 3.00831  Sterimol/B3: 4.08914
  Sterimol/B4: 4.84042  Sterimol/L: 12.2136 
 
 Surface and Volume Properties
  Accessible surface: 411.474  Positive charged surface: 272.519  Negative charged surface: 138.955  Volume: 193.75
  Hydrophobic surface: 141.966  Hydrophilic surface: 269.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.