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ENAMINE-ZINC06787201

 MMsINC code: MMs01697108
Type: Neutral
Formula: C15H23FN2O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(C(=O)NCCCOC)c(F)cc1
InChI:   InChI=1/C15H23FN2O4S/c1-4-18(5-2)23(20,21)12-7-8-14(16)13(11-12)15(19)17-9-6-10-22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.9293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.423 g/mol  logS: -2.73838  SlogP: 1.6225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490108  Sterimol/B1: 2.2768  Sterimol/B2: 2.84909  Sterimol/B3: 5.4648
  Sterimol/B4: 7.63928  Sterimol/L: 17.7179 
 
 Surface and Volume Properties
  Accessible surface: 599.191  Positive charged surface: 409.099  Negative charged surface: 190.092  Volume: 319.375
  Hydrophobic surface: 459.754  Hydrophilic surface: 139.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.