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PUBCHEM-ZINC02015494

 MMsINC code: MMs02851819
Type: Neutral
Formula: C3H9O2PS2
SMILES:   S(P(SC)(OC)=O)C
InChI:   InChI=1/C3H9O2PS2/c1-5-6(4,7-2)8-3/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.0396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.209 g/mol  logS: -1.56442  SlogP: 1.3967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821813  Sterimol/B1: 2.29487  Sterimol/B2: 2.71652  Sterimol/B3: 3.48562
  Sterimol/B4: 5.57968  Sterimol/L: 11.0497 
 
 Surface and Volume Properties
  Accessible surface: 337.294  Positive charged surface: 175.404  Negative charged surface: 161.89  Volume: 143.625
  Hydrophobic surface: 223.022  Hydrophilic surface: 114.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.