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NCID-ZINC01678701

 MMsINC code: MMs02313391
Type: Neutral
Formula: C12H24O4S2
SMILES:   S(C(SCC)C(O)C(O)C1OC(OC1)(C)C)CC
InChI:   InChI=1/C12H24O4S2/c1-5-17-11(18-6-2)10(14)9(13)8-7-15-12(3,4)16-8/h8-11,13-14H,5-7H2,1-4H3/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=83.1395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.452 g/mol  logS: -2.84887  SlogP: 1.692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924781  Sterimol/B1: 2.33292  Sterimol/B2: 3.36256  Sterimol/B3: 3.77913
  Sterimol/B4: 8.09862  Sterimol/L: 14.5245 
 
 Surface and Volume Properties
  Accessible surface: 541.828  Positive charged surface: 388.747  Negative charged surface: 153.081  Volume: 285.25
  Hydrophobic surface: 353.515  Hydrophilic surface: 188.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.