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PUBCHEM-ZINC06483390

 MMsINC code: MMs03759742
Type: Neutral
Formula: C3H10O4P2S2
SMILES:   S=P(OC)(O)CP(=S)(OC)O
InChI:   InChI=1/C3H10O4P2S2/c1-6-8(4,10)3-9(5,11)7-2/h3H2,1-2H3,(H,4,10)(H,5,11)/t8-,9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-19.9249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.189 g/mol  logS: -1.15392  SlogP: 0.8403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192864  Sterimol/B1: 2.17647  Sterimol/B2: 3.63346  Sterimol/B3: 3.95192
  Sterimol/B4: 5.05606  Sterimol/L: 11.4652 
 
 Surface and Volume Properties
  Accessible surface: 376.537  Positive charged surface: 228.993  Negative charged surface: 147.544  Volume: 177
  Hydrophobic surface: 184.415  Hydrophilic surface: 192.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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
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Ions/Tautomers related molecules: no related molecules available.