Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 |
MW: | 286.04 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
LON-WEI-8f408cad-3
MAK-UNK-4c6b313a-1
0.688
MAK-UNK-6435e6c2-10
0.688
MAK-UNK-6435e6c2-11
0.688
SAD-SAT-bc31ec01-9
0.667
MAT-POS-ee51dedd-2
0.611
MAK-UNK-10dfa458-46
0.611
PEI-IMP-3d837503-2
0.585
SAD-SAT-b55127ae-5
0.544
MAK-UNK-10dfa458-5
0.534
BEN-DND-03ad4429-3
0.534
BEN-DND-03ad4429-7
0.526
MAK-UNK-10dfa458-4
0.526
SAD-SAT-3a925b8b-10
0.491
AHN-SAT-02ef6d10-5
0.484
MAK-UNK-10dfa458-6
0.483
MAK-UNK-7264f48c-4
0.479
MAK-UNK-7264f48c-5
0.479
JAG-SYN-9c2cd0bd-1
0.475
MAK-UNK-7264f48c-1
0.471
MAK-UNK-7264f48c-2
0.466
MAK-UNK-7264f48c-6
0.453
MAK-UNK-7264f48c-3
0.447
JAN-GHE-4287bd1a-1
0.444
MAK-UNK-10dfa458-1
0.441
AHN-SAT-02ef6d10-7
0.423
MAK-UNK-212f693e-24
0.410
AHN-SAT-02ef6d10-9
0.387
MAK-UNK-6ca90168-21
0.361
WAR-XCH-e55cba98-8
0.359
MAK-UNK-902cc841-8
0.354
SAD-SAT-f0a2747f-9
0.353
WAR-XCH-e55cba98-4
0.350
MAK-UNK-6435e6c2-5
0.349
DAN-MCD-5c762fbe-1
0.348
SAD-SAT-1f400d17-1
0.344
ALE-MCD-a1893bfb-1
0.344
MAK-UNK-10dfa458-2
0.344
SAD-SAT-2ceae68f-7
0.342
MAK-UNK-6435e6c2-1
0.339
JOH-UNI-27ac80fd-26
0.339
SAD-SAT-2fd372d1-4
0.339
SAD-SAT-1f400d17-6
0.339
DRR-IMP-dff87f5e-7
0.338
JOH-UNI-27ac80fd-34
0.338
ANT-OPE-7824651a-2
0.338
SAD-SAT-b55127ae-3
0.338
MAK-UNK-7c9d1431-13
0.333
MAR-TRE-6a44bbf2-78
0.333
ANT-OPE-d972fbad-1
0.333
DAN-MCD-a37c31cb-1
0.329
DAN-MCD-e5161b06-1
0.329
DAN-MCD-68a9aade-1
0.329
BEN-DND-03ad4429-4
0.329
MAK-UNK-7c9d1431-9
0.328
PEI-IMP-3d837503-4
0.328
MAR-TRE-6a44bbf2-21
0.328
AHN-SAT-02ef6d10-3
0.328
MAT-POS-b5746674-55
0.328
DAN-MCD-3ec20f87-1
0.325
DRR-IMP-dff87f5e-9
0.324
DRR-IMP-dff87f5e-3
0.323
AAR-POS-d2a4d1df-44
0.323
DAN-MCD-c163c0bb-1
0.321
MAK-UNK-bdda130a-4
0.321
SAD-SAT-2ceae68f-4
0.321
NAU-LAT-f723e322-6
0.321
BEN-DND-03ad4429-8
0.320
SAD-SAT-6b5a89f0-9
0.319
PEI-IMP-ca0b2813-2
0.318
KAY-MCD-d0fe5261-1
0.318
MAR-TRE-6a44bbf2-58
0.318
AAR-POS-d2a4d1df-27
0.318
SAD-SAT-3a925b8b-2
0.318
DRR-IMP-dff87f5e-1
0.318
MAR-LAB-efb042c5-5
0.318
MAR-TRE-6a44bbf2-68
0.318
MAK-UNK-6ca90168-12
0.317
DAN-MCD-3bfdcef2-1
0.314
DAN-MCD-0c04f563-1
0.314
JAY-UNK-11f5bdbd-1
0.313
MAT-POS-b5746674-56
0.313
SAD-SAT-b55127ae-10
0.313
SAD-SAT-2ceae68f-1
0.312
NAU-LAT-64f4b287-1
0.312
PEI-IMP-3d837503-3
0.311
DAN-MCD-9cdc9f7f-1
0.310
DAN-MCD-0fb4364c-1
0.310
DAN-MCD-f396e45b-1
0.310
MAK-UNK-902cc841-10
0.310
MAK-UNK-6ca90168-16
0.309
MAR-TRE-6a44bbf2-18
0.309
DAN-MCD-50ec7d1f-1
0.309
AAR-POS-d2a4d1df-23
0.309
LON-WEI-8f408cad-4
0.309
BEN-DND-03406596-10
0.309
ANT-OPE-7824651a-1
0.307
DAN-MCD-7eba3d41-1
0.306
TAT-ENA-80bfd3e5-43
0.306
MAK-UNK-7c9d1431-11
0.306
KEN-MCD-6084b33e-1
0.306