Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N(c1cnc(C(F)F)c2ccccc12)S(=O)(=O)F |
MW: | 428.02 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 67.34 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogen_heteroatom
sulfonyl_halide
Acyl halides and analogues
Halogen-bonded heteroatoms
Filter2_acyl_phosphyl_sulfonyl_halide
Filter25_sulfonyl_halide
Filter47_so2f
sufonyl halide
high halogen content (>3)
acid halide
P/S halide
Hetero_hetero
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
JOH-UNI-50ce7ec3-3
0.750
JOH-UNI-50ce7ec3-2
0.613
JOH-UNI-50ce7ec3-6
0.595
JOH-UNI-6fede743-1
0.500
JOH-UNI-50ce7ec3-5
0.472
JOH-UNI-50ce7ec3-1
0.467
PET-UNK-12d8d43f-1
0.432
JOH-UNI-6fede743-2
0.425
JOH-UNI-a38a7bdd-5
0.421
PET-UNK-6c2be958-1
0.416
VLA-UCB-05e51b3f-15
0.416
VLA-UCB-05e51b3f-17
0.416
JOH-UNI-a38a7bdd-1
0.413
MAT-POS-bb423b95-7
0.409
PET-UNK-5ecb6237-1
0.407
JOH-UNI-a38a7bdd-2
0.398
PET-UNK-12d8d43f-2
0.398
JOH-UNI-3fc3434e-10
0.396
JOH-UNI-ee5ed7c8-10
0.396
JOH-UNI-6fede743-5
0.396
JOH-UNI-a38a7bdd-6
0.394
NAU-LAT-4ce8bf23-2
0.389
VLA-UCB-05e51b3f-16
0.383
DAR-DIA-56cf811e-1
0.383
DAR-DIA-076fb6ea-1
0.383
PET-UNK-a692de38-1
0.383
DAR-DIA-076fb6ea-5
0.381
DAR-DIA-076fb6ea-15
0.379
JOH-UNI-ee5ed7c8-9
0.379
JOH-UNI-3fc3434e-9
0.379
DAR-DIA-56cf811e-5
0.374
ALP-UNI-44c99a80-1
0.374
JOH-UNI-a38a7bdd-9
0.372
VLA-UNK-4cf5aa07-2
0.372
DAR-DIA-076fb6ea-8
0.371
ALP-UNI-44c99a80-4
0.370
RUB-POS-1325a9ea-18
0.367
DAR-DIA-076fb6ea-9
0.364
JOH-UNI-a38a7bdd-3
0.363
JIN-POS-6dc588a4-23
0.363
MIC-UNK-67d4a29a-1
0.363
EDG-MED-0da5ad92-1
0.360
JAN-GHE-83b26c96-15
0.360
DAR-DIA-56cf811e-3
0.360
RUB-POS-1325a9ea-17
0.360
JAN-GHE-83b26c96-16
0.356
JOH-UNI-6fede743-4
0.356
MIC-UNK-67d4a29a-3
0.355
SAM-UNK-2684b532-11
0.352
JIN-POS-6dc588a4-21
0.352
JIN-POS-6dc588a4-24
0.352
BAR-COM-ebf5acce-3
0.351
MIC-UNK-67d4a29a-2
0.351
DAR-DIA-076fb6ea-3
0.350
DAR-DIA-076fb6ea-11
0.350
ADA-UCB-6c2cb422-1
0.348
JOH-UNI-a38a7bdd-4
0.348
MIC-UNK-67d4a29a-4
0.347
PET-UNK-8df914d1-2
0.344
JIN-POS-6dc588a4-7
0.344
JOH-UNI-ee5ed7c8-8
0.344
JOH-UNI-3fc3434e-8
0.344
JOH-UNI-3fc3434e-11
0.344
JOH-UNI-ee5ed7c8-13
0.344
JOH-UNI-3fc3434e-13
0.344
JOH-UNI-ee5ed7c8-11
0.344
JOH-UNI-a38a7bdd-7
0.343
BEN-DND-1e24cf73-3
0.341
MIC-UNK-51049f1a-5
0.340
BAR-COM-ebf5acce-2
0.340
PET-UNK-e8c7a26f-2
0.337
JAN-GHE-5a013bed-3
0.337
PET-UNK-bbe8d7ff-1
0.337
PET-UNK-bbe8d7ff-2
0.337
BAR-COM-ebf5acce-4
0.337
EDJ-MED-6e43a462-8
0.333
JIN-POS-6dc588a4-8
0.333
DAR-DIA-56cf811e-2
0.333
BAR-COM-ebf5acce-15
0.333
MAT-POS-c0609ef7-1
0.333
DAR-DIA-076fb6ea-6
0.333
DAR-DIA-076fb6ea-2
0.333
DAR-DIA-076fb6ea-16
0.333
NAU-LAT-a5c7d7cb-10
0.333
EDJ-MED-c8e7a002-11
0.333
JOH-UNI-a38a7bdd-8
0.330
JOH-UNI-3fc3434e-5
0.330
JOH-UNI-ee5ed7c8-5
0.330
BAR-COM-ebf5acce-6
0.330
DAR-DIA-6a49afbe-1
0.330
PET-UNK-158bee2a-1
0.330
VLA-UNK-4cf5aa07-1
0.330
EDG-MED-0da5ad92-13
0.329
EDJ-MED-49816e9b-2
0.329
NAM-UNK-f7c77a48-3
0.329
BAR-COM-ebf5acce-8
0.327
ROB-UNI-daaf9793-1
0.326
MAT-POS-e1b5ac6b-1
0.326
EDJ-MED-50fe53e8-2
0.326
MAT-POS-f7918075-6
0.326