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IBS-ZINC00435531

MMsINC code: MMs01736035

Type: Neutral
Formula: C13H14N2O4S
SMILES:   S(=O)(=O)(NNC(=O)c1ccoc1C)c1ccc(cc1)C
InChI:   InChI=1/C13H14N2O4S/c1-9-3-5-11(6-4-9)20(17,18)15-14-13(16)12-7-8-19-10(12)2/h3-8,15H,1-2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=75.7818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.331 g/mol  logS: -3.94385  SlogP: 1.51974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474338  Sterimol/B1: 2.66132  Sterimol/B2: 3.61228  Sterimol/B3: 4.01461
  Sterimol/B4: 7.15625  Sterimol/L: 15.2548 
 
 Surface and Volume Properties
  Accessible surface: 511.538  Positive charged surface: 244.5  Negative charged surface: 267.037  Volume: 258.875
  Hydrophobic surface: 377.424  Hydrophilic surface: 134.114
 
 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.