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


PUBCHEM-ZINC03603665

 MMsINC code: MMs03019761
Type: Neutral
Formula: C10H13O4PS
SMILES:   S=P(OC)(OC)C(C(O)=O)c1ccccc1
InChI:   InChI=1/C10H13O4PS/c1-13-15(16,14-2)9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,11,12)/t9-/m0/s1

Download   format file 
Drug Similarity  |  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)=70.0319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.25 g/mol  logS: -2.6284  SlogP: 2.5101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206951  Sterimol/B1: 3.83627  Sterimol/B2: 4.31678  Sterimol/B3: 4.33708
  Sterimol/B4: 4.74867  Sterimol/L: 12.3391 
 
 Surface and Volume Properties
  Accessible surface: 420.964  Positive charged surface: 259.852  Negative charged surface: 161.112  Volume: 223.625
  Hydrophobic surface: 287.193  Hydrophilic surface: 133.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03019762
PUBCHEM-ZINC03603665