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ENAMINE-ZINC03389821

 MMsINC code: MMs01412987
Type: Neutral
Formula: C16H15N3O4S
SMILES:   S(=O)(=O)(Nc1cc(cc(c1)C(=O)N)C(=O)N)\C=C\c1ccccc1
InChI:   InChI=1/C16H15N3O4S/c17-15(20)12-8-13(16(18)21)10-14(9-12)19-24(22,23)7-6-11-4-2-1-3-5-11/h1-10,19H,(H2,17,20)(H2,18,21)/b7-6+

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Potential Energy
Epot(MMFF94)=54.3549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.379 g/mol  logS: -3.76757  SlogP: 1.297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.322621  Sterimol/B1: 2.24725  Sterimol/B2: 4.75851  Sterimol/B3: 5.76418
  Sterimol/B4: 8.20487  Sterimol/L: 12.9063 
 
 Surface and Volume Properties
  Accessible surface: 566.495  Positive charged surface: 294.88  Negative charged surface: 271.615  Volume: 297.125
  Hydrophobic surface: 275.715  Hydrophilic surface: 290.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.