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ASINEX-ZINC00816414

 MMsINC code: MMs00178930
Type: Neutral
Formula: C19H16FNO4S
SMILES:   S(=O)(=O)(Nc1cc2c3c(oc2cc1)CCCC3=O)c1ccc(F)cc1C
InChI:   InChI=1/C19H16FNO4S/c1-11-9-12(20)5-8-18(11)26(23,24)21-13-6-7-16-14(10-13)19-15(22)3-2-4-17(19)25-16/h5-10,21H,2-4H2,1H3

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Potential Energy
Epot(MMFF94)=59.5163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.404 g/mol  logS: -5.67289  SlogP: 4.20009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179387  Sterimol/B1: 2.61229  Sterimol/B2: 2.95343  Sterimol/B3: 6.51507
  Sterimol/B4: 6.82408  Sterimol/L: 14.0672 
 
 Surface and Volume Properties
  Accessible surface: 563.184  Positive charged surface: 297.343  Negative charged surface: 259.879  Volume: 319.375
  Hydrophobic surface: 442.259  Hydrophilic surface: 120.925
 
 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.