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ASINEX-ZINC05042943

 MMsINC code: MMs00439602
Type: Neutral
Formula: C12H24N2O2S
SMILES:   S(=O)(=O)(N1CCN(CC1)C1CCCCC1)CC
InChI:   InChI=1/C12H24N2O2S/c1-2-17(15,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h12H,2-11H2,1H3

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Potential Energy
Epot(MMFF94)=37.2425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.402 g/mol  logS: -1.31966  SlogP: 1.2864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843053  Sterimol/B1: 3.17012  Sterimol/B2: 3.35743  Sterimol/B3: 3.726
  Sterimol/B4: 3.98139  Sterimol/L: 15.6174 
 
 Surface and Volume Properties
  Accessible surface: 482.195  Positive charged surface: 366.193  Negative charged surface: 116.002  Volume: 255.25
  Hydrophobic surface: 404.047  Hydrophilic surface: 78.148
 
 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


MMs00439603
ASINEX-ZINC05042943