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ASINEX-ZINC00145449

 MMsINC code: MMs00082330
Type: Neutral
Formula: C11H12N2O3S2
SMILES:   s1c2cc(S(=O)(=O)C)ccc2nc1NC(=O)CC
InChI:   InChI=1/C11H12N2O3S2/c1-3-10(14)13-11-12-8-5-4-7(18(2,15)16)6-9(8)17-11/h4-6H,3H2,1-2H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=36.7314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.36 g/mol  logS: -3.22364  SlogP: 2.0483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302819  Sterimol/B1: 2.90709  Sterimol/B2: 3.05952  Sterimol/B3: 3.26407
  Sterimol/B4: 5.23812  Sterimol/L: 16.5778 
 
 Surface and Volume Properties
  Accessible surface: 484.232  Positive charged surface: 256.723  Negative charged surface: 227.509  Volume: 238.25
  Hydrophobic surface: 325.85  Hydrophilic surface: 158.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.