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ASINEX-ZINC00283167

 MMsINC code: MMs00107852
Type: Neutral
Formula: C14H16N2O4S
SMILES:   S(=O)(=O)(NCc1ncccc1)c1cc(OC)ccc1OC
InChI:   InChI=1/C14H16N2O4S/c1-19-12-6-7-13(20-2)14(9-12)21(17,18)16-10-11-5-3-4-8-15-11/h3-9,16H,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=52.9095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.358 g/mol  logS: -1.9863  SlogP: 1.8437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122041  Sterimol/B1: 3.23214  Sterimol/B2: 3.32534  Sterimol/B3: 5.89286
  Sterimol/B4: 6.01932  Sterimol/L: 16.1336 
 
 Surface and Volume Properties
  Accessible surface: 532.25  Positive charged surface: 350.413  Negative charged surface: 181.837  Volume: 275.625
  Hydrophobic surface: 426.847  Hydrophilic surface: 105.403
 
 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.