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


PUBCHEM-ZINC06792532

 MMsINC code: MMs03860899
Type: Neutral
Formula: C2H8NO2PS
SMILES:   S=P(OC)(O)NC
InChI:   InChI=1/C2H8NO2PS/c1-3-6(4,7)5-2/h1-2H3,(H2,3,4,7)/t6-/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)=-39.4867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.131 g/mol  logS: -0.21677  SlogP: 0.069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126855  Sterimol/B1: 2.80079  Sterimol/B2: 3.48646  Sterimol/B3: 3.50354
  Sterimol/B4: 3.87447  Sterimol/L: 9.80115 
 
 Surface and Volume Properties
  Accessible surface: 297.468  Positive charged surface: 205.818  Negative charged surface: 91.6504  Volume: 115.75
  Hydrophobic surface: 159.009  Hydrophilic surface: 138.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.