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ENAMINE-ZINC03511264

 MMsINC code: MMs01483069
Type: Neutral
Formula: C15H19N3O6S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)C(OCC(=O)NC(=O)NCC=C)=O
InChI:   InChI=1/C15H19N3O6S/c1-4-8-16-15(21)17-13(19)10-24-14(20)11-6-5-7-12(9-11)25(22,23)18(2)3/h4-7,9H,1,8,10H2,2-3H3,(H2,16,17,19,21)

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Potential Energy
Epot(MMFF94)=28.1629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.398 g/mol  logS: -2.5775  SlogP: 0.1055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254874  Sterimol/B1: 2.06534  Sterimol/B2: 3.08543  Sterimol/B3: 4.44461
  Sterimol/B4: 7.19412  Sterimol/L: 21.862 
 
 Surface and Volume Properties
  Accessible surface: 641.81  Positive charged surface: 409.18  Negative charged surface: 232.631  Volume: 323.375
  Hydrophobic surface: 384.738  Hydrophilic surface: 257.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.