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ASINEX-ZINC03878211

 MMsINC code: MMs00291261
Type: Neutral
Formula: C15H16N2O6S
SMILES:   S(=O)(=O)(Nc1cc(OC)c([N+](=O)[O-])cc1OC)c1ccc(cc1)C
InChI:   InChI=1/C15H16N2O6S/c1-10-4-6-11(7-5-10)24(20,21)16-12-8-15(23-3)13(17(18)19)9-14(12)22-2/h4-9,16H,1-3H3

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Potential Energy
Epot(MMFF94)=91.1065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.367 g/mol  logS: -4.41163  SlogP: 2.72122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.334668  Sterimol/B1: 2.6194  Sterimol/B2: 5.90043  Sterimol/B3: 6.29955
  Sterimol/B4: 7.55879  Sterimol/L: 12.9507 
 
 Surface and Volume Properties
  Accessible surface: 549.966  Positive charged surface: 321.574  Negative charged surface: 228.392  Volume: 296.375
  Hydrophobic surface: 388.031  Hydrophilic surface: 161.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.