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NCID-ZINC01703750

 MMsINC code: MMs02332748
Type: Neutral
Formula: C13H28O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)CC)(CCCC)CCCC)CC
InChI:   InChI=1/C13H28O4S2/c1-5-9-11-13(12-10-6-2,18(14,15)7-3)19(16,17)8-4/h5-12H2,1-4H3

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Potential Energy
Epot(MMFF94)=48.3112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.495 g/mol  logS: -3.6421  SlogP: 2.9325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128739  Sterimol/B1: 3.07206  Sterimol/B2: 3.86424  Sterimol/B3: 4.70948
  Sterimol/B4: 6.95512  Sterimol/L: 14.375 
 
 Surface and Volume Properties
  Accessible surface: 535.876  Positive charged surface: 339.793  Negative charged surface: 196.083  Volume: 296.25
  Hydrophobic surface: 365.697  Hydrophilic surface: 170.179
 
 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.