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


PUBCHEM-ZINC05922419

 MMsINC code: MMs03444545
Type: Neutral
Formula: C10H21O4PS
SMILES:   S=P(OC(CC)C)(OCCOC(=O)CC)C
InChI:   InChI=1/C10H21O4PS/c1-5-9(3)14-15(4,16)13-8-7-12-10(11)6-2/h9H,5-8H2,1-4H3/t9-,15+/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)=19.6377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.314 g/mol  logS: -2.33815  SlogP: 2.7106  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123167  Sterimol/B1: 2.30675  Sterimol/B2: 3.25043  Sterimol/B3: 5.29933
  Sterimol/B4: 6.11142  Sterimol/L: 14.7112 
 
 Surface and Volume Properties
  Accessible surface: 525.41  Positive charged surface: 345.157  Negative charged surface: 180.252  Volume: 257.25
  Hydrophobic surface: 345.308  Hydrophilic surface: 180.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.