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


PUBCHEM-ZINC05157295

 MMsINC code: MMs03213754
Type: Neutral
Formula: C5H10NO5P
SMILES:   P(O)(O)(=O)CC1CC1(N)C(O)=O
InChI:   InChI=1/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m0/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)=-8.69575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.111 g/mol  logS: 0.96484  SlogP: -2.1041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18028  Sterimol/B1: 2.42657  Sterimol/B2: 2.53403  Sterimol/B3: 4.62143
  Sterimol/B4: 4.96881  Sterimol/L: 10.7114 
 
 Surface and Volume Properties
  Accessible surface: 361.639  Positive charged surface: 211.721  Negative charged surface: 149.918  Volume: 153.625
  Hydrophobic surface: 68.5102  Hydrophilic surface: 293.1288
 
 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.