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ASINEX-ZINC01326930

 MMsINC code: MMs00235616
Type: Neutral
Formula: C18H18N2O2S2
SMILES:   s1c2c(nc1C1CCN(S(=O)(=O)c3ccccc3)CC1)cccc2
InChI:   InChI=1/C18H18N2O2S2/c21-24(22,15-6-2-1-3-7-15)20-12-10-14(11-13-20)18-19-16-8-4-5-9-17(16)23-18/h1-9,14H,10-13H2

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Potential Energy
Epot(MMFF94)=42.8489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.486 g/mol  logS: -4.07168  SlogP: 3.8646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102369  Sterimol/B1: 2.5639  Sterimol/B2: 3.62339  Sterimol/B3: 3.62698
  Sterimol/B4: 7.69616  Sterimol/L: 15.0497 
 
 Surface and Volume Properties
  Accessible surface: 570.5  Positive charged surface: 314.699  Negative charged surface: 255.801  Volume: 324.375
  Hydrophobic surface: 492.941  Hydrophilic surface: 77.559
 
 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: no related molecules available.