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NCID-ZINC01683331

 MMsINC code: MMs02316939
Type: Neutral
Formula: C12H26N2O3S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)N1CCOCC1
InChI:   InChI=1/C12H26N2O3S/c1-3-5-7-13(8-6-4-2)18(15,16)14-9-11-17-12-10-14/h3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=-1.48225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.417 g/mol  logS: -1.62733  SlogP: 1.4656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121005  Sterimol/B1: 2.46838  Sterimol/B2: 2.52848  Sterimol/B3: 5.09642
  Sterimol/B4: 9.57196  Sterimol/L: 14.1808 
 
 Surface and Volume Properties
  Accessible surface: 522.131  Positive charged surface: 402.818  Negative charged surface: 119.314  Volume: 279.25
  Hydrophobic surface: 415.948  Hydrophilic surface: 106.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.