Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2ccccc2F)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: | 15.6408761855788 |
Order Status | |
Shipped: | 2021-05-26 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
BEN-DND-03406596-9
1.000
AAR-POS-d2a4d1df-34
0.818
DRR-IMP-dff87f5e-5
0.818
MAR-TRE-6a44bbf2-8
0.818
BEN-DND-03406596-2
0.641
BEN-DND-76ad4ac9-12
0.641
SAD-SAT-9a6c5cf3-10
0.629
BEN-DND-03406596-6
0.627
BEN-DND-76ad4ac9-10
0.627
BEN-DND-76ad4ac9-14
0.582
BEN-DND-03406596-3
0.582
BEN-DND-03406596-8
0.576
BEN-DND-76ad4ac9-13
0.544
BEN-DND-03406596-5
0.544
MAK-UNK-7c9d1431-12
0.531
LON-WEI-8f408cad-2
0.508
AAR-POS-d2a4d1df-32
0.508
MAR-TRE-6a44bbf2-4
0.508
SAD-SAT-bc31ec01-10
0.500
KAT-UNK-b2a0d5b1-1
0.493
AAR-POS-d2a4d1df-37
0.486
MAR-TRE-6a44bbf2-7
0.486
MAR-TRE-6a44bbf2-21
0.484
MAK-UNK-7c9d1431-9
0.484
BEN-DND-03406596-1
0.479
BEN-DND-76ad4ac9-9
0.479
DRR-IMP-db50bf6e-4
0.479
ABB-MCD-f8003a30-1
0.464
MAR-TRE-6a44bbf2-32
0.464
PEI-IMP-668afc53-1
0.462
BEN-DND-03406596-10
0.456
LON-WEI-8f408cad-4
0.456
MAR-TRE-6a44bbf2-18
0.456
AAR-POS-d2a4d1df-23
0.456
PEI-IMP-ca0b2813-4
0.449
DRR-IMP-dff87f5e-1
0.448
KAY-MCD-d0fe5261-1
0.448
MAR-TRE-6a44bbf2-58
0.448
MAK-UNK-3f402c2b-11
0.446
MAK-UNK-7c9d1431-10
0.443
DRR-IMP-dff87f5e-4
0.439
DRR-IMP-dff87f5e-3
0.433
AAR-POS-d2a4d1df-44
0.433
IND-SYN-6c8299e8-2
0.432
BEN-DND-76ad4ac9-8
0.429
AAR-POS-d2a4d1df-22
0.426
LON-WEI-8f408cad-3
0.426
MAR-TRE-6a44bbf2-52
0.426
MAK-UNK-7c9d1431-11
0.425
TAT-ENA-80bfd3e5-43
0.425
MAR-TRE-6a44bbf2-65
0.425
DRR-IMP-dff87f5e-8
0.423
SAD-SAT-3a925b8b-6
0.420
SAD-SAT-3a925b8b-3
0.420
AAR-POS-0daf6b7e-3
0.417
WAR-XCH-79d12f6e-6
0.417
AAR-POS-d2a4d1df-36
0.417
RHE-UNK-eb059eb9-1
0.417
MAR-TRE-6a44bbf2-13
0.417
MAK-UNK-c74072e5-4
0.417
MAT-POS-590ac91e-70
0.414
PEI-IMP-ca0b2813-3
0.413
SAD-SAT-f2e2579e-6
0.410
PEI-IMP-ca0b2813-1
0.408
MAK-UNK-7c9d1431-17
0.408
DRR-IMP-dff87f5e-6
0.408
MAR-TRE-6a44bbf2-45
0.408
MAK-UNK-7c9d1431-30
0.408
PEI-IMP-ca0b2813-2
0.406
MAR-LAB-efb042c5-5
0.406
AAR-POS-d2a4d1df-27
0.406
AAR-POS-0daf6b7e-15
0.406
MAR-TRE-6a44bbf2-68
0.406
MAT-POS-ee51dedd-2
0.406
DRR-IMP-dff87f5e-7
0.406
SAD-SAT-3a925b8b-2
0.406
SAD-SAT-5b1897b2-10
0.403
MAK-UNK-7c9d1431-13
0.400
NIM-UNI-05f93fcc-1
0.400
MAR-TRE-6a44bbf2-78
0.400
SAD-SAT-f2e2579e-8
0.400
JAY-UNK-11f5bdbd-1
0.400
SAD-SAT-f2e2579e-1
0.398
MAK-UNK-69bf97dd-8
0.398
TAT-ENA-80bfd3e5-25
0.395
DRR-IMP-dff87f5e-2
0.395
MAK-UNK-7c9d1431-4
0.395
MAK-UNK-7c9d1431-3
0.395
KAT-MCD-525c981a-1
0.394
KAT-UNK-48001bce-1
0.394
NAU-LAT-f723e322-5
0.393
SAD-SAT-9a6c5cf3-2
0.393
NIM-UNI-05f93fcc-3
0.392
SAD-SAT-bc31ec01-5
0.391
MAK-UNK-7c9d1431-6
0.389
MAR-TRE-6a44bbf2-26
0.389
MAK-UNK-7c9d1431-8
0.389
DRR-IMP-dff87f5e-9
0.389
MAK-UNK-c74072e5-8
0.389
MAK-UNK-7c9d1431-27
0.389