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ASINEX-ZINC06680000

 MMsINC code: MMs00443923
Type: Neutral
Formula: C8H12N2O3S2
SMILES:   s1c(C)c(S(=O)(=O)NC)cc1C(=O)NC
InChI:   InChI=1/C8H12N2O3S2/c1-5-7(15(12,13)10-3)4-6(14-5)8(11)9-2/h4,10H,1-3H3,(H,9,11)

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Potential Energy
Epot(MMFF94)=3.34926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.327 g/mol  logS: -1.48905  SlogP: 0.32422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891676  Sterimol/B1: 2.13707  Sterimol/B2: 3.17381  Sterimol/B3: 3.98004
  Sterimol/B4: 6.41358  Sterimol/L: 12.7722 
 
 Surface and Volume Properties
  Accessible surface: 429.348  Positive charged surface: 266.659  Negative charged surface: 162.689  Volume: 204.75
  Hydrophobic surface: 293.382  Hydrophilic surface: 135.966
 
 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.