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ASINEX-ZINC06679962

 MMsINC code: MMs00443894
Type: Neutral
Formula: C13H20N2O3S2
SMILES:   s1c(C)c(S(=O)(=O)NC2CCCCCC2)cc1C(=O)N
InChI:   InChI=1/C13H20N2O3S2/c1-9-12(8-11(19-9)13(14)16)20(17,18)15-10-6-4-2-3-5-7-10/h8,10,15H,2-7H2,1H3,(H2,14,16)

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Potential Energy
Epot(MMFF94)=22.2581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.446 g/mol  logS: -3.5814  SlogP: 2.15652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229736  Sterimol/B1: 2.25896  Sterimol/B2: 3.4364  Sterimol/B3: 5.45485
  Sterimol/B4: 7.39011  Sterimol/L: 12.4949 
 
 Surface and Volume Properties
  Accessible surface: 505.671  Positive charged surface: 299.722  Negative charged surface: 205.949  Volume: 279.25
  Hydrophobic surface: 330.71  Hydrophilic surface: 174.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.