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ENAMINE-ZINC04206351

 MMsINC code: MMs01534155
Type: Neutral
Formula: C12H15F2NO4S
SMILES:   S(=O)(=O)(NCCCCCC(O)=O)c1cc(F)c(F)cc1
InChI:   InChI=1/C12H15F2NO4S/c13-10-6-5-9(8-11(10)14)20(18,19)15-7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=-1.9214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.317 g/mol  logS: -2.29589  SlogP: 1.8881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617877  Sterimol/B1: 2.77081  Sterimol/B2: 4.3115  Sterimol/B3: 4.84774
  Sterimol/B4: 4.95429  Sterimol/L: 16.2487 
 
 Surface and Volume Properties
  Accessible surface: 520.536  Positive charged surface: 281.958  Negative charged surface: 238.578  Volume: 253.875
  Hydrophobic surface: 338.014  Hydrophilic surface: 182.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01534156
ENAMINE-ZINC04206351