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CHEMDIV-ZINC00114123

 MMsINC code: MMs00833506
Type: Neutral
Formula: C14H15N3O4S
SMILES:   S(=O)(=O)(Nc1ccc(OC)nc1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C14H15N3O4S/c1-10(18)16-11-3-6-13(7-4-11)22(19,20)17-12-5-8-14(21-2)15-9-12/h3-9,17H,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=59.9171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.357 g/mol  logS: -2.35967  SlogP: 1.8494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111408  Sterimol/B1: 3.52413  Sterimol/B2: 4.12302  Sterimol/B3: 4.25433
  Sterimol/B4: 7.9621  Sterimol/L: 14.7235 
 
 Surface and Volume Properties
  Accessible surface: 543.102  Positive charged surface: 346.49  Negative charged surface: 196.612  Volume: 280.875
  Hydrophobic surface: 386.316  Hydrophilic surface: 156.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.