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ASINEX-ZINC00816523

 MMsINC code: MMs00179035
Type: Neutral
Formula: C16H21N3O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)N(C)C)CC1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C16H21N3O4S2/c1-17(2)25(22,23)19-11-9-18(10-12-19)24(20,21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,9-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=31.7008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.493 g/mol  logS: -2.98207  SlogP: 0.9525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558861  Sterimol/B1: 3.29924  Sterimol/B2: 3.58282  Sterimol/B3: 4.89179
  Sterimol/B4: 5.13325  Sterimol/L: 18.0399 
 
 Surface and Volume Properties
  Accessible surface: 591.922  Positive charged surface: 371.382  Negative charged surface: 209.919  Volume: 333.25
  Hydrophobic surface: 484.995  Hydrophilic surface: 106.927
 
 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.