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ENAMINE-ZINC05210198

 MMsINC code: MMs01596940
Type: Neutral
Formula: C19H18FN3O2S
SMILES:   S(CC(=O)NCCc1ccc(F)cc1)c1oc(nn1)-c1ccc(cc1)C
InChI:   InChI=1/C19H18FN3O2S/c1-13-2-6-15(7-3-13)18-22-23-19(25-18)26-12-17(24)21-11-10-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=64.4977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.436 g/mol  logS: -7.74589  SlogP: 3.63509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156795  Sterimol/B1: 3.53228  Sterimol/B2: 3.61788  Sterimol/B3: 3.62171
  Sterimol/B4: 3.83399  Sterimol/L: 24.0611 
 
 Surface and Volume Properties
  Accessible surface: 664.053  Positive charged surface: 356.581  Negative charged surface: 307.472  Volume: 342.625
  Hydrophobic surface: 508.199  Hydrophilic surface: 155.854
 
 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.