Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1CS(=O)(=O)F |
MW: | 309.322 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.16 |
cLogP: | 2.5249 |
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
acid halide
P/S halide
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
AAR-POS-d2a4d1df-11
SAD-SAT-689b7d5a-5
0.586
BAR-COM-5694a99d-3
0.569
BAR-COM-5694a99d-1
0.562
BAR-COM-5694a99d-4
0.556
BAR-COM-5694a99d-5
0.541
JIA-UNI-12b1f9ae-2
0.519
AAR-POS-d2a4d1df-11
0.500
SAD-SAT-689b7d5a-1
0.494
MAK-UNK-30aad1f1-1
0.494
HUB-UNK-9845d277-3
0.480
MAK-UNK-d1e89583-2
0.478
MAK-UNK-d1e89583-4
0.463
SAD-SAT-cefd50cc-1
0.451
BAR-COM-5694a99d-2
0.449
STE-LAU-aafa5dff-1
0.449
MAK-UNK-129dcd6f-4
0.438
MAK-UNK-129dcd6f-5
0.436
SAD-SAT-f25ee457-7
0.432
WIL-UNI-5578df48-26
0.429
WAR-XCH-6eb0722e-6
0.429
WAR-XCH-6eb0722e-5
0.427
MAK-UNK-30aad1f1-14
0.425
DAR-DIA-842b4336-1
0.424
WAR-XCH-6eb0722e-2
0.424
WAR-XCH-6eb0722e-4
0.422
IAN-BAS-df1706d7-1
0.421
HUB-UNK-9845d277-14
0.420
TAM-UNI-c140e31a-19
0.419
WAR-XCH-eb7b662f-3
0.418
WAR-XCH-6eb0722e-1
0.417
WAR-XCH-6eb0722e-3
0.414
MAK-UNK-d1e89583-8
0.413
MAK-UNK-d1e89583-1
0.412
DAR-DIA-23aa0b97-15
0.412
DAR-DIA-842b4336-2
0.412
ALE-HEI-f28a35b5-15
0.409
DAR-DIA-842b4336-7
0.408
JIA-UNI-9972d268-1
0.407
ANN-UNI-26382800-3
0.406
JOH-UNK-14e6adc5-2
0.406
DAR-DIA-23aa0b97-14
0.406
DAR-DIA-842b4336-4
0.406
WAR-XCH-eb7b662f-6
0.406
WAR-XCH-eb7b662f-7
0.406
JOR-UNI-2fc98d0b-7
0.406
JAN-GHE-83b26c96-19
0.406
DAR-DIA-842b4336-3
0.406
WIL-UNI-5578df48-15
0.400
SAD-SAT-135344c3-1
0.400
JOR-UNI-61e7b1d5-1
0.400
MAK-UNK-d1e89583-7
0.400
SAD-SAT-135344c3-3
0.398
CHR-SOS-363cfb78-3
0.398
SAD-SAT-f25ee457-8
0.397
SAD-SAT-689b7d5a-8
0.397
ALE-MCD-4ac17b19-1
0.395
ALE-HEI-f28a35b5-4
0.394
MAK-UNK-a7b37c5e-1
0.394
MAR-TRE-67513f76-81
0.393
LON-WEI-5e7d1b3e-22
0.393
LON-WEI-4d77710c-22
0.393
DAR-DIA-842b4336-6
0.392
WIL-UNI-5578df48-21
0.389
DAR-DIA-842b4336-5
0.389
DAR-DIA-842b4336-8
0.389
WAR-XCH-eb7b662f-4
0.389
CHR-SOS-363cfb78-1
0.389
MAK-UNK-ae34c249-1
0.388
KEI-TRE-d5e2018a-98
0.386
HUB-UNK-9845d277-4
0.385
DAR-DIA-23aa0b97-5
0.384
ANN-UNI-26382800-4
0.384
WAR-XCH-eb7b662f-1
0.384
JOR-UNI-61e7b1d5-2
0.384
WAR-XCH-eb7b662f-5
0.384
MAK-UNK-a7b37c5e-2
0.384
SAN-PRS-52b81272-2
0.382
MAK-UNK-ca11b4f7-1
0.381
JOH-IMS-62aeb97d-5
0.381
ALE-HEI-f28a35b5-8
0.380
WIL-UNI-5578df48-28
0.380
DAR-DIA-842b4336-9
0.378
MAK-UNK-c749d764-27
0.378
BAR-COM-21d20d65-9
0.378
ASH-UNK-40b46b30-7
0.378
CHR-SOS-363cfb78-4
0.378
MAK-UNK-de8f6d00-5
0.378
SAD-SAT-689b7d5a-4
0.377
MAK-UNK-c749d764-17
0.375
MAK-UNK-37f1d6fa-1
0.374
MAK-UNK-d1e89583-5
0.373
WIL-UNI-5578df48-14
0.372
MAK-UNK-129dcd6f-12
0.370
SIM-DEM-f31d0e65-1
0.370
FRA-FAC-9ed5a63a-3
0.370
WIL-UNI-5578df48-16
0.369
WIL-UNI-5578df48-22
0.368
MAK-UNK-d1e89583-3
0.368
WAR-XCH-eb7b662f-2
0.368
SAD-SAT-689b7d5a-3
0.368