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ASINEX-ZINC05023454

 MMsINC code: MMs00438416
Type: Neutral
Formula: C11H24N2O2S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(CC)CC)CC
InChI:   InChI=1/C11H24N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h11H,4-10H2,1-3H3

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Potential Energy
Epot(MMFF94)=39.8071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.391 g/mol  logS: -0.90648  SlogP: 1.1423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103217  Sterimol/B1: 2.28704  Sterimol/B2: 3.27265  Sterimol/B3: 4.0038
  Sterimol/B4: 6.51546  Sterimol/L: 14.3136 
 
 Surface and Volume Properties
  Accessible surface: 479.414  Positive charged surface: 343.511  Negative charged surface: 135.903  Volume: 250.5
  Hydrophobic surface: 356.53  Hydrophilic surface: 122.884
 
 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


MMs00438417
ASINEX-ZINC05023454