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


NCID-ZINC01735293

 MMsINC code: MMs02357378
Type: Neutral
Formula: C10H23O4P
SMILES:   P(OC(CC)C)(OC(CC)C)(OCC)=O
InChI:   InChI=1/C10H23O4P/c1-6-9(4)13-15(11,12-8-3)14-10(5)7-2/h9-10H,6-8H2,1-5H3/t9-,10+,15-

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)=-8.05583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.264 g/mol  logS: -1.90553  SlogP: 2.691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110486  Sterimol/B1: 2.44632  Sterimol/B2: 2.75662  Sterimol/B3: 3.78955
  Sterimol/B4: 8.9251  Sterimol/L: 11.877 
 
 Surface and Volume Properties
  Accessible surface: 475.306  Positive charged surface: 330.018  Negative charged surface: 145.287  Volume: 243
  Hydrophobic surface: 340.901  Hydrophilic surface: 134.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.