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ENAMINE-ZINC04564099

 MMsINC code: MMs01547809
Type: Neutral
Formula: C17H20FN3O3S
SMILES:   S(CC(=O)C=1C(=O)N(C)C(=O)N(CC(C)C)C=1N)c1ccc(F)cc1
InChI:   InChI=1/C17H20FN3O3S/c1-10(2)8-21-15(19)14(16(23)20(3)17(21)24)13(22)9-25-12-6-4-11(18)5-7-12/h4-7,10H,8-9,19H2,1-3H3

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Potential Energy
Epot(MMFF94)=43.6981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.429 g/mol  logS: -4.4296  SlogP: 2.2072  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0317805  Sterimol/B1: 3.16848  Sterimol/B2: 3.36422  Sterimol/B3: 3.50898
  Sterimol/B4: 6.49707  Sterimol/L: 18.1262 
 
 Surface and Volume Properties
  Accessible surface: 589.502  Positive charged surface: 363.822  Negative charged surface: 225.681  Volume: 324.75
  Hydrophobic surface: 409.226  Hydrophilic surface: 180.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.