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PUBCHEM-ZINC06483149

 MMsINC code: MMs03759519
Type: Neutral
Formula: C3H7O4PS2
SMILES:   S(P(OC)(OC)=O)C(S)=O
InChI:   InChI=1/C3H7O4PS2/c1-6-8(5,7-2)10-3(4)9/h1-2H3,(H,4,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-27.2906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.191 g/mol  logS: -2.14691  SlogP: 1.1001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123698  Sterimol/B1: 2.46576  Sterimol/B2: 2.50159  Sterimol/B3: 3.83249
  Sterimol/B4: 7.38626  Sterimol/L: 9.48874 
 
 Surface and Volume Properties
  Accessible surface: 361.891  Positive charged surface: 202.077  Negative charged surface: 159.814  Volume: 151.5
  Hydrophobic surface: 191.845  Hydrophilic surface: 170.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.