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


PUBCHEM-ZINC05975955

 MMsINC code: MMs03471429
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(OCC1CNCC1O)(O)(O)=O
InChI:   InChI=1/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,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)=-49.1955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 1.03485  SlogP: -2.3942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120174  Sterimol/B1: 2.20476  Sterimol/B2: 3.05688  Sterimol/B3: 3.62974
  Sterimol/B4: 5.12776  Sterimol/L: 11.8751 
 
 Surface and Volume Properties
  Accessible surface: 372.984  Positive charged surface: 265.903  Negative charged surface: 107.081  Volume: 158.125
  Hydrophobic surface: 148.742  Hydrophilic surface: 224.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03471430
PUBCHEM-ZINC05975955