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


PUBCHEM-ZINC01995634

 MMsINC code: MMs02838823
Type: Neutral
Formula: C5H12NO4P
SMILES:   P(O)(=O)(CC(N)(C(O)=O)C)C
InChI:   InChI=1/C5H12NO4P/c1-5(6,4(7)8)3-11(2,9)10/h3,6H2,1-2H3,(H,7,8)(H,9,10)/t5-/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)=20.5876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 0.97395  SlogP: -1.3816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225987  Sterimol/B1: 2.19442  Sterimol/B2: 2.77458  Sterimol/B3: 4.35323
  Sterimol/B4: 4.6334  Sterimol/L: 10.9962 
 
 Surface and Volume Properties
  Accessible surface: 350.185  Positive charged surface: 228.458  Negative charged surface: 121.727  Volume: 155.375
  Hydrophobic surface: 123.707  Hydrophilic surface: 226.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02838824
PUBCHEM-ZINC01995634