Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 |
MW: | 334.06 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 43.9987144366107 |
Order Status | |
Shipped: | 2021-05-26 |
Activated haloaromatics
Hetero_hetero
KAY-MCD-d0fe5261-1
0.792
MAR-TRE-6a44bbf2-58
0.792
DRR-IMP-dff87f5e-1
0.792
BEN-DND-03406596-3
0.677
BEN-DND-76ad4ac9-14
0.677
BEN-DND-76ad4ac9-10
0.597
BEN-DND-03406596-6
0.597
BEN-DND-76ad4ac9-12
0.585
BEN-DND-03406596-2
0.585
BEN-DND-03406596-9
0.576
BEN-DND-76ad4ac9-11
0.576
AAR-POS-d2a4d1df-44
0.567
DRR-IMP-dff87f5e-3
0.567
MAR-LAB-efb042c5-5
0.557
MAR-TRE-6a44bbf2-68
0.557
DRR-IMP-dff87f5e-7
0.557
AAR-POS-d2a4d1df-27
0.557
DRR-IMP-dff87f5e-6
0.556
MAK-UNK-7c9d1431-17
0.556
MAR-TRE-6a44bbf2-21
0.550
MAK-UNK-7c9d1431-9
0.550
MAR-TRE-6a44bbf2-78
0.548
MAK-UNK-7c9d1431-13
0.548
BEN-DND-03406596-5
0.537
BEN-DND-76ad4ac9-13
0.537
SAD-SAT-9a6c5cf3-2
0.533
MAK-UNK-7c9d1431-6
0.531
DRR-IMP-dff87f5e-9
0.531
MAK-UNK-c74072e5-8
0.531
MAK-UNK-7c9d1431-22
0.530
MAR-TRE-6a44bbf2-32
0.523
ABB-MCD-f8003a30-1
0.523
AAR-POS-d2a4d1df-23
0.516
BEN-DND-03406596-10
0.516
MAR-TRE-6a44bbf2-18
0.516
LON-WEI-8f408cad-4
0.516
PEI-IMP-ca0b2813-2
0.508
JAY-UNK-11f5bdbd-1
0.500
MAK-UNK-7c9d1431-10
0.500
BAP-BUY-55f8bcae-1
0.493
KAT-UNK-b2a0d5b1-1
0.485
SAD-SAT-3a925b8b-2
0.484
MAR-TRE-6a44bbf2-36
0.479
MAK-UNK-7c9d1431-2
0.479
SAD-SAT-3a925b8b-3
0.477
BEN-DND-76ad4ac9-9
0.471
BEN-DND-03406596-1
0.471
IND-SYN-6c8299e8-2
0.465
MAR-TRE-6a44bbf2-8
0.463
DRR-IMP-dff87f5e-5
0.463
AAR-POS-d2a4d1df-34
0.463
MAK-UNK-7c9d1431-8
0.463
MAR-TRE-6a44bbf2-26
0.463
MAT-POS-ee51dedd-2
0.462
DRR-IMP-dff87f5e-8
0.456
MAR-TRE-6a44bbf2-4
0.455
AAR-POS-d2a4d1df-32
0.455
LON-WEI-8f408cad-2
0.455
MAR-TRE-6a44bbf2-38
0.452
MAK-UNK-7c9d1431-1
0.452
MAK-UNK-d4768348-7
0.448
SAD-SAT-bc31ec01-5
0.446
MAK-UNK-7c9d1431-4
0.444
TAT-ENA-80bfd3e5-25
0.444
MAT-POS-b5746674-57
0.443
PEI-IMP-ca0b2813-1
0.441
MAK-UNK-d4768348-1
0.439
MAK-UNK-d4768348-4
0.439
SAD-SAT-3a925b8b-9
0.439
MAK-UNK-7c9d1431-7
0.438
MAR-TRE-6a44bbf2-31
0.438
MAK-UNK-7c9d1431-5
0.438
MAR-TRE-6a44bbf2-49
0.438
SAD-SAT-f2e2579e-2
0.437
TAT-ENA-80bfd3e5-43
0.437
MAK-UNK-7c9d1431-19
0.437
MAK-UNK-7c9d1431-11
0.437
MAR-TRE-6a44bbf2-65
0.437
SAD-SAT-bc31ec01-4
0.435
SAD-SAT-f2e2579e-5
0.434
NIM-UNI-05f93fcc-1
0.433
SAD-SAT-3a925b8b-6
0.433
MAK-UNK-d4768348-2
0.433
MAK-UNK-d4768348-8
0.433
MAK-UNK-7c9d1431-12
0.433
MAK-UNK-d4768348-5
0.433
MED-COV-4280ac29-5
0.432
DRR-IMP-dff87f5e-4
0.431
PEI-IMP-ca0b2813-3
0.425
MAK-UNK-7c9d1431-3
0.425
DRR-IMP-dff87f5e-2
0.425
SAD-SAT-9a6c5cf3-5
0.423
SAD-SAT-f2e2579e-9
0.422
AAR-POS-d2a4d1df-22
0.418
AAR-POS-0daf6b7e-15
0.418
LON-WEI-8f408cad-3
0.418
MAR-TRE-6a44bbf2-52
0.418
SAD-SAT-f2e2579e-10
0.418
SAD-SAT-9a6c5cf3-9
0.415
SAD-SAT-bc31ec01-8
0.413