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NCID-ZINC04409378

 MMsINC code: MMs02385402
Type: Neutral
Formula: C14H19N3O3S
SMILES:   S(=O)(=O)(NN=C1CCCCC1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C14H19N3O3S/c1-11(18)15-12-7-9-14(10-8-12)21(19,20)17-16-13-5-3-2-4-6-13/h7-10,17H,2-6H2,1H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=83.9971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.39 g/mol  logS: -3.08443  SlogP: 2.2434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702349  Sterimol/B1: 2.80427  Sterimol/B2: 2.97224  Sterimol/B3: 4.92946
  Sterimol/B4: 6.74337  Sterimol/L: 16.9756 
 
 Surface and Volume Properties
  Accessible surface: 556.446  Positive charged surface: 341.291  Negative charged surface: 215.154  Volume: 280.375
  Hydrophobic surface: 417.187  Hydrophilic surface: 139.259
 
 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.