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ASINEX-ZINC04746093

 MMsINC code: MMs00369076
Type: Neutral
Formula: C9H20N2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)CC)CC1)CCC
InChI:   InChI=1/C9H20N2O4S2/c1-3-9-17(14,15)11-7-5-10(6-8-11)16(12,13)4-2/h3-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=16.2643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.401 g/mol  logS: -0.36365  SlogP: -0.3065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0591141  Sterimol/B1: 2.68201  Sterimol/B2: 3.58429  Sterimol/B3: 3.58735
  Sterimol/B4: 4.22827  Sterimol/L: 16.707 
 
 Surface and Volume Properties
  Accessible surface: 488.405  Positive charged surface: 326.779  Negative charged surface: 161.626  Volume: 246.75
  Hydrophobic surface: 337.237  Hydrophilic surface: 151.168
 
 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.