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


PUBCHEM-ZINC02015798

 MMsINC code: MMs02852082
Type: Neutral
Formula: C5H13O3P
SMILES:   P(OCC)(O)(=O)CCC
InChI:   InChI=1/C5H13O3P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)

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)=-19.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.13 g/mol  logS: -0.12239  SlogP: 0.5481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797484  Sterimol/B1: 2.63977  Sterimol/B2: 2.68142  Sterimol/B3: 3.66542
  Sterimol/B4: 4.30609  Sterimol/L: 12.5208 
 
 Surface and Volume Properties
  Accessible surface: 356.956  Positive charged surface: 246.109  Negative charged surface: 110.847  Volume: 145.5
  Hydrophobic surface: 230.853  Hydrophilic surface: 126.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.