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ENAMINE-ZINC03268523

 MMsINC code: MMs01341058
Type: Neutral
Formula: C18H20F2N2O2S
SMILES:   S(=O)(=O)(NC1CCN(CC1)Cc1ccccc1)c1cc(F)c(F)cc1
InChI:   InChI=1/C18H20F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,21H,8-11,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.432 g/mol  logS: -4.03099  SlogP: 3.1741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105282  Sterimol/B1: 3.36287  Sterimol/B2: 4.5561  Sterimol/B3: 4.73449
  Sterimol/B4: 4.8643  Sterimol/L: 17.0932 
 
 Surface and Volume Properties
  Accessible surface: 588.793  Positive charged surface: 329.347  Negative charged surface: 259.446  Volume: 323.25
  Hydrophobic surface: 506.586  Hydrophilic surface: 82.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01341059
ENAMINE-ZINC03268523