Type: Neutral
Formula: C17H24FN3O6S
SMILES: |
S(=O)(=O)(N1CCCOC1CNC(=O)C(=O)NCCOC)c1ccc(F)cc1C |
InChI: |
InChI=1/C17H24FN3O6S/c1-12-10-13(18)4-5-14(12)28(24,25)21-7-3-8-27-15(21)11-20-17(23)16(22)19-6-9-26-2/h4-5,10,15H,3,6-9,11H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 417.458 g/mol | logS: -2.61565 | SlogP: -0.24998 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.0732362 | Sterimol/B1: 3.65525 | Sterimol/B2: 4.83078 | Sterimol/B3: 5.12043 |
Sterimol/B4: 6.50162 | Sterimol/L: 16.876 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 641.464 | Positive charged surface: 445.081 | Negative charged surface: 196.383 | Volume: 356.375 |
Hydrophobic surface: 487.899 | Hydrophilic surface: 153.565 | | |
| | | |
Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 6 | 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 | |
|
search links for this molecule: |
|
|
|
|
Ions/Tautomers related molecules: no related molecules available. | | | |