Molecular Properties | |
SMILES: | COc1c(Cl)cc(Cl)cc1CS(=O)(=O)N1CCN(c2c(F)ncc3ccccc23)C1=O |
MW: | 483.02 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 79.81 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
Hetero_hetero
JUL-TUD-06b2044f-81
0.310
RUB-POS-1325a9ea-18
0.287
JOH-UNI-99d163e5-4
0.285
ALP-POS-df536be7-4
0.278
DAR-DIA-9f765dc6-14
0.277
DAR-DIA-9f765dc6-13
0.277
DAR-DIA-9f765dc6-15
0.277
LON-WEI-9739a092-9
0.276
JUL-TUD-06b2044f-112
0.276
JUL-TUD-06b2044f-73
0.274
DAR-DIA-9f765dc6-16
0.269
DAR-DIA-9f765dc6-17
0.269
DAR-DIA-9f765dc6-18
0.269
RAL-THA-065e0743-2
0.268
BEN-DND-d1eb1f41-15
0.265
JOH-UNI-2440d4f3-3
0.265
MAT-UCL-e2ab2224-1
0.262
ALP-UNI-58319883-1
0.262
MIC-UNK-b9827f26-4
0.260
ALP-POS-d7944b10-7
0.260
PET-UNK-4d432d33-4
0.260
PET-UNK-4d432d33-8
0.260
ALP-POS-bb8a3193-8
0.259
MIC-UNK-d854bf4c-5
0.258
EDJ-MED-50011917-3
0.256
DAR-DIA-6a49afbe-6
0.256
VLA-UNK-61877630-4
0.256
VLA-UNK-8e615992-1
0.256
VLA-UNK-5d8210f0-1
0.256
EDJ-MED-9f4ac58c-6
0.255
MAT-POS-3b92565d-2
0.254
RAL-THA-2d450e86-18
0.254
ALP-POS-3b848b35-1
0.254
RAL-THA-e002e396-5
0.254
JOH-UNI-6e27fddc-8
0.254
VLA-UNK-61877630-7
0.254
VLA-UNK-e334495f-1
0.254
MAT-POS-9ff17035-1
0.252
MIC-UNK-d854bf4c-6
0.252
DAR-DIA-6a49afbe-3
0.252
PET-UNK-f360ae44-10
0.252
MIK-ENA-be04d1d4-1
0.252
MIK-ENA-e143773d-1
0.252
MIK-ENA-edcfce18-1
0.252
MIK-ENA-0547b12c-1
0.252
PET-UNK-f360ae44-2
0.252
MAT-POS-50a80394-2
0.252
RAL-THA-2d450e86-6
0.250
RAL-THA-2d450e86-14
0.250
JOH-UNI-99d163e5-8
0.250
MAT-POS-b3212acf-2
0.250
RAL-THA-e002e396-1
0.250
PET-UNK-4d432d33-3
0.250
PET-UNK-4d432d33-7
0.250
MIC-UNK-257d841f-1
0.250
ALP-POS-ecbed2ba-6
0.248
PET-UNK-757f8bc8-3
0.248
EDJ-MED-015fb6b4-1
0.248
EDJ-MED-40e596c8-1
0.248
JOH-UNI-99d163e5-3
0.248
ALP-POS-d7944b10-5
0.248
ALP-POS-d7944b10-12
0.248
ALP-POS-d7944b10-17
0.248
JUL-TUD-06b2044f-52
0.248
ALP-POS-df536be7-6
0.248
JOH-UNI-ee5ed7c8-8
0.248
JOH-UNI-3fc3434e-8
0.248
PET-UNK-fe71d26d-1
0.246
PET-UNK-fe71d26d-3
0.246
PET-UNK-f360ae44-6
0.246
PET-UNK-f360ae44-14
0.246
EDJ-MED-3707c4bc-1
0.246
BEN-DND-d1eb1f41-7
0.246
MAT-POS-24589f88-14
0.246
RAL-THA-2d450e86-22
0.246
ALP-POS-bb8a3193-9
0.245
DAR-DIA-0587064e-8
0.244
EDJ-MED-036ae2e9-3
0.244
RAL-THA-1d44ff04-9
0.244
RAL-THA-1d44ff04-11
0.244
IVS-FNM-f9a14d04-1
0.244
DAR-DIA-6a49afbe-2
0.243
MAT-POS-3cc264b0-1
0.243
EDJ-MED-50fe53e8-1
0.243
ALP-POS-bb8a3193-4
0.243
PET-UNK-0d6841fa-4
0.243
ALP-POS-ecbed2ba-10
0.243
VLA-UNK-f2612802-2
0.243
EDJ-MED-670ad2ee-2
0.242
RAL-THA-e002e396-7
0.242
LON-WEI-9739a092-10
0.242
EDJ-MED-841e0cf0-2
0.242
MIC-UNK-ea4eb352-10
0.242
EDJ-MED-28b38b9b-2
0.242
DAR-DIA-0d514e7d-25
0.242
ALP-POS-d7944b10-6
0.242
DAR-DIA-0d514e7d-26
0.242
BEN-DND-d1eb1f41-13
0.242
MAT-POS-89e65850-3
0.242
ALP-POS-6479a3a9-2
0.242