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ENAMINE-ZINC03203333

 MMsINC code: MMs01305056
Type: Neutral
Formula: C19H20F2N2O4S
SMILES:   S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C19H20F2N2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)16-6-3-14(4-7-16)19(24)22-18-8-5-15(20)9-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)/t12-,13+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.441 g/mol  logS: -4.80429  SlogP: 3.015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553717  Sterimol/B1: 2.19414  Sterimol/B2: 3.68425  Sterimol/B3: 5.09702
  Sterimol/B4: 7.15755  Sterimol/L: 19.2061 
 
 Surface and Volume Properties
  Accessible surface: 646.952  Positive charged surface: 352.339  Negative charged surface: 294.613  Volume: 352.375
  Hydrophobic surface: 505.639  Hydrophilic surface: 141.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.