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ASINEX-ZINC00373592

 MMsINC code: MMs00125904
Type: Neutral
Formula: C15H15FN2OS
SMILES:   S1\C(=C/c2ccccc2F)\C(=O)N=C1N1CCCCC1
InChI:   InChI=1/C15H15FN2OS/c16-12-7-3-2-6-11(12)10-13-14(19)17-15(20-13)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-

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Potential Energy
Epot(MMFF94)=63.2842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.362 g/mol  logS: -4.12857  SlogP: 3.2819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363259  Sterimol/B1: 2.43384  Sterimol/B2: 2.52732  Sterimol/B3: 3.70297
  Sterimol/B4: 7.2768  Sterimol/L: 15.2238 
 
 Surface and Volume Properties
  Accessible surface: 500.648  Positive charged surface: 307.201  Negative charged surface: 193.447  Volume: 266.375
  Hydrophobic surface: 400.243  Hydrophilic surface: 100.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.