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ASINEX-ZINC06678638

 MMsINC code: MMs00442845
Type: Neutral
Formula: C12H12N2O3S2
SMILES:   s1cc(S(=O)(=O)Nc2cc(ccc2)C)cc1C(=O)N
InChI:   InChI=1/C12H12N2O3S2/c1-8-3-2-4-9(5-8)14-19(16,17)10-6-11(12(13)15)18-7-10/h2-7,14H,1H3,(H2,13,15)

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Potential Energy
Epot(MMFF94)=32.3342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -3.57943  SlogP: 1.95622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160356  Sterimol/B1: 2.08027  Sterimol/B2: 2.96688  Sterimol/B3: 4.6484
  Sterimol/B4: 7.4677  Sterimol/L: 12.8298 
 
 Surface and Volume Properties
  Accessible surface: 485.466  Positive charged surface: 233.84  Negative charged surface: 251.626  Volume: 248.75
  Hydrophobic surface: 296.813  Hydrophilic surface: 188.653
 
 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.