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ENAMINE-ZINC03426420

 MMsINC code: MMs01434745
Type: Neutral
Formula: C17H13F2N3O2S
SMILES:   S(Cc1oc(nn1)-c1ccc(F)cc1)CC(=O)Nc1ccccc1F
InChI:   InChI=1/C17H13F2N3O2S/c18-12-7-5-11(6-8-12)17-22-21-16(24-17)10-25-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23)

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Potential Energy
Epot(MMFF94)=93.9593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.372 g/mol  logS: -6.73556  SlogP: 4.1531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266511  Sterimol/B1: 2.52828  Sterimol/B2: 3.09185  Sterimol/B3: 3.96458
  Sterimol/B4: 6.74932  Sterimol/L: 20.5277 
 
 Surface and Volume Properties
  Accessible surface: 610.615  Positive charged surface: 311.169  Negative charged surface: 299.445  Volume: 308.25
  Hydrophobic surface: 462.677  Hydrophilic surface: 147.938
 
 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.