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ENAMINE-ZINC06652219

 MMsINC code: MMs01692783
Type: Neutral
Formula: C17H15F2NO2S
SMILES:   S1CCC(NC(=O)c2cc(OC(F)F)ccc2)c2c1cccc2
InChI:   InChI=1/C17H15F2NO2S/c18-17(19)22-12-5-3-4-11(10-12)16(21)20-14-8-9-23-15-7-2-1-6-13(14)15/h1-7,10,14,17H,8-9H2,(H,20,21)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.1813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.374 g/mol  logS: -4.80517  SlogP: 4.7703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667075  Sterimol/B1: 2.61159  Sterimol/B2: 3.7233  Sterimol/B3: 3.74638
  Sterimol/B4: 7.34392  Sterimol/L: 15.8663 
 
 Surface and Volume Properties
  Accessible surface: 542.704  Positive charged surface: 281.246  Negative charged surface: 261.458  Volume: 291.75
  Hydrophobic surface: 385.393  Hydrophilic surface: 157.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.