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ENAMINE-ZINC03313680

 MMsINC code: MMs01365524
Type: Neutral
Formula: C20H23F3N2O3S
SMILES:   S(=O)(=O)(NC(C(CC)C)C(=O)NCc1ccccc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C20H23F3N2O3S/c1-3-14(2)18(19(26)24-13-15-8-5-4-6-9-15)25-29(27,28)17-11-7-10-16(12-17)20(21,22)23/h4-12,14,18,25H,3,13H2,1-2H3,(H,24,26)/t14-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.2013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.475 g/mol  logS: -5.46585  SlogP: 4.2927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126442  Sterimol/B1: 2.50526  Sterimol/B2: 4.15482  Sterimol/B3: 4.85047
  Sterimol/B4: 8.93107  Sterimol/L: 16.1105 
 
 Surface and Volume Properties
  Accessible surface: 637.878  Positive charged surface: 303.631  Negative charged surface: 334.247  Volume: 371
  Hydrophobic surface: 411.806  Hydrophilic surface: 226.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.