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PUBCHEM-ZINC05760906

 MMsINC code: MMs03374129
Type: Neutral
Formula: C12H28O5P2S2
SMILES:   S=P(OC(C)C)(OC(C)C)OP(=S)(OC(C)C)OC(C)C
InChI:   InChI=1/C12H28O5P2S2/c1-9(2)13-18(20,14-10(3)4)17-19(21,15-11(5)6)16-12(7)8/h9-12H,1-8H3

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Potential Energy
Epot(MMFF94)=-8.23446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.431 g/mol  logS: -5.12294  SlogP: 5.152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19976  Sterimol/B1: 2.20011  Sterimol/B2: 3.34079  Sterimol/B3: 5.72397
  Sterimol/B4: 7.50586  Sterimol/L: 14.7188 
 
 Surface and Volume Properties
  Accessible surface: 604.038  Positive charged surface: 357.723  Negative charged surface: 246.315  Volume: 348.875
  Hydrophobic surface: 351.015  Hydrophilic surface: 253.023
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.