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ENAMINE-ZINC05155948

 MMsINC code: MMs01593030
Type: Neutral
Formula: C18H17F2NO4S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)\C=C\c1ccc(OC(F)F)cc1
InChI:   InChI=1/C18H17F2NO4S/c1-21(2)26(23,24)16-10-6-14(7-11-16)17(22)12-5-13-3-8-15(9-4-13)25-18(19)20/h3-12,18H,1-2H3/b12-5+

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Potential Energy
Epot(MMFF94)=84.9168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.399 g/mol  logS: -4.01132  SlogP: 3.8543  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0275165  Sterimol/B1: 2.23377  Sterimol/B2: 2.81967  Sterimol/B3: 4.50943
  Sterimol/B4: 7.43413  Sterimol/L: 18.7102 
 
 Surface and Volume Properties
  Accessible surface: 617.368  Positive charged surface: 322.892  Negative charged surface: 294.477  Volume: 328.125
  Hydrophobic surface: 439.236  Hydrophilic surface: 178.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.