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NCID-ZINC01645004

 MMsINC code: MMs02285990
Type: Neutral
Formula: C14H13FN2O3S
SMILES:   S(C)c1nc(Oc2ccccc2F)c(cn1)C(OCC)=O
InChI:   InChI=1/C14H13FN2O3S/c1-3-19-13(18)9-8-16-14(21-2)17-12(9)20-11-7-5-4-6-10(11)15/h4-8H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=39.4263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.333 g/mol  logS: -5.00877  SlogP: 3.3066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734449  Sterimol/B1: 2.90712  Sterimol/B2: 3.6395  Sterimol/B3: 3.91341
  Sterimol/B4: 8.56597  Sterimol/L: 15.2892 
 
 Surface and Volume Properties
  Accessible surface: 550.396  Positive charged surface: 333.883  Negative charged surface: 216.513  Volume: 270.5
  Hydrophobic surface: 431.527  Hydrophilic surface: 118.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.