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ENAMINE-ZINC03532586

 MMsINC code: MMs01494456
Type: Neutral
Formula: C14H11F2NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OC)=O)c1c(F)cccc1F
InChI:   InChI=1/C14H11F2NO4S/c1-21-14(18)9-5-2-3-8-12(9)17-22(19,20)13-10(15)6-4-7-11(13)16/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=41.7427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.307 g/mol  logS: -4.01841  SlogP: 2.5522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2762  Sterimol/B1: 2.47467  Sterimol/B2: 3.56924  Sterimol/B3: 5.36827
  Sterimol/B4: 7.84091  Sterimol/L: 11.9558 
 
 Surface and Volume Properties
  Accessible surface: 486.393  Positive charged surface: 270.288  Negative charged surface: 216.105  Volume: 259.875
  Hydrophobic surface: 392.204  Hydrophilic surface: 94.189
 
 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.