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ENAMINE-ZINC02619860

 MMsINC code: MMs01254632
Type: Neutral
Formula: C19H19F3N2O3S
SMILES:   S(=O)(=O)(N1Cc2c(CC1C(=O)Nc1cc(ccc1)C(F)(F)F)cccc2)CC
InChI:   InChI=1/C19H19F3N2O3S/c1-2-28(26,27)24-12-14-7-4-3-6-13(14)10-17(24)18(25)23-16-9-5-8-15(11-16)19(20,21)22/h3-9,11,17H,2,10,12H2,1H3,(H,23,25)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.432 g/mol  logS: -4.80654  SlogP: 3.99837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124404  Sterimol/B1: 2.11908  Sterimol/B2: 3.59332  Sterimol/B3: 4.89398
  Sterimol/B4: 8.0409  Sterimol/L: 17.5455 
 
 Surface and Volume Properties
  Accessible surface: 611.646  Positive charged surface: 308.236  Negative charged surface: 303.41  Volume: 344.625
  Hydrophobic surface: 418.989  Hydrophilic surface: 192.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.