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


NCID-ZINC01560434

 MMsINC code: MMs02222848
Type: Neutral
Formula: C5H11O3PS
SMILES:   S=P1(OC(CO1)C)OCC
InChI:   InChI=1/C5H11O3PS/c1-3-6-9(10)7-4-5(2)8-9/h5H,3-4H2,1-2H3/t5-,9+/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)=10.1435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.18 g/mol  logS: -1.92248  SlogP: 1.6827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099426  Sterimol/B1: 2.33787  Sterimol/B2: 3.28168  Sterimol/B3: 4.13109
  Sterimol/B4: 5.35001  Sterimol/L: 11.5623 
 
 Surface and Volume Properties
  Accessible surface: 367.068  Positive charged surface: 226.46  Negative charged surface: 140.608  Volume: 154.125
  Hydrophobic surface: 222.357  Hydrophilic surface: 144.711
 
 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.