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ASINEX-ZINC05001711

 MMsINC code: MMs00430995
Type: Neutral
Formula: C19H19FN4OS
SMILES:   S(Cc1ccccc1)c1nnc(n1C)CNC(=O)Cc1ccccc1F
InChI:   InChI=1/C19H19FN4OS/c1-24-17(12-21-18(25)11-15-9-5-6-10-16(15)20)22-23-19(24)26-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,25)

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Potential Energy
Epot(MMFF94)=50.4266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.452 g/mol  logS: -5.37073  SlogP: 3.99737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394615  Sterimol/B1: 2.41775  Sterimol/B2: 3.44314  Sterimol/B3: 4.32334
  Sterimol/B4: 5.54909  Sterimol/L: 22.2082 
 
 Surface and Volume Properties
  Accessible surface: 654.452  Positive charged surface: 390.165  Negative charged surface: 264.286  Volume: 346.75
  Hydrophobic surface: 531.944  Hydrophilic surface: 122.508
 
 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.