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ENAMINE-ZINC06608710

 MMsINC code: MMs01685788
Type: Neutral
Formula: C18H25N3O4S
SMILES:   S(=O)(=O)(N(C)C)c1cc2nc(n(c2cc1)CC)COC(=O)C1CCCC1
InChI:   InChI=1/C18H25N3O4S/c1-4-21-16-10-9-14(26(23,24)20(2)3)11-15(16)19-17(21)12-25-18(22)13-7-5-6-8-13/h9-11,13H,4-8,12H2,1-3H3

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Potential Energy
Epot(MMFF94)=33.1327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.481 g/mol  logS: -3.49221  SlogP: 3.0727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536726  Sterimol/B1: 2.49803  Sterimol/B2: 3.352  Sterimol/B3: 4.58489
  Sterimol/B4: 7.68798  Sterimol/L: 19.3908 
 
 Surface and Volume Properties
  Accessible surface: 651.268  Positive charged surface: 460.877  Negative charged surface: 190.39  Volume: 355.875
  Hydrophobic surface: 513.61  Hydrophilic surface: 137.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.