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ASINEX-ZINC00882380

 MMsINC code: MMs00206521
Type: Neutral
Formula: C18H15FN2O4S
SMILES:   S(CC(=O)c1ccccc1F)c1oc(nn1)-c1cc(OC)c(OC)cc1
InChI:   InChI=1/C18H15FN2O4S/c1-23-15-8-7-11(9-16(15)24-2)17-20-21-18(25-17)26-10-14(22)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=96.7944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.392 g/mol  logS: -7.47004  SlogP: 3.8679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00375394  Sterimol/B1: 2.37288  Sterimol/B2: 2.38386  Sterimol/B3: 2.81826
  Sterimol/B4: 7.1709  Sterimol/L: 21.053 
 
 Surface and Volume Properties
  Accessible surface: 631.996  Positive charged surface: 377.849  Negative charged surface: 254.147  Volume: 327.875
  Hydrophobic surface: 475.708  Hydrophilic surface: 156.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.