Molecular Properties | |
SMILES: | N#Cc1c(Br)cccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 480.99 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 81.48 |
cLogP: | 3.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
Hetero_hetero
SAD-SAT-bc31ec01-10
0.733
AAR-POS-d2a4d1df-37
0.519
MAR-TRE-6a44bbf2-7
0.519
PEI-IMP-668afc53-1
0.512
PEI-IMP-ca0b2813-4
0.500
MAK-UNK-7c9d1431-12
0.480
DRR-IMP-dff87f5e-5
0.468
AAR-POS-d2a4d1df-34
0.468
MAR-TRE-6a44bbf2-8
0.468
DRR-IMP-db50bf6e-4
0.439
BEN-DND-76ad4ac9-11
0.417
BEN-DND-03406596-9
0.417
DRR-IMP-dff87f5e-9
0.412
SAD-SAT-f2e2579e-4
0.409
NIM-UNI-05f93fcc-1
0.405
DRR-IMP-dff87f5e-4
0.403
MAK-UNK-7c9d1431-9
0.403
MAR-TRE-6a44bbf2-21
0.403
DRR-IMP-dff87f5e-7
0.392
AAR-POS-d2a4d1df-22
0.392
MAR-TRE-6a44bbf2-52
0.392
LON-WEI-8f408cad-3
0.392
SAD-SAT-3a925b8b-2
0.392
LON-WEI-8f408cad-2
0.388
MAR-TRE-6a44bbf2-4
0.388
AAR-POS-d2a4d1df-32
0.388
RHE-UNK-eb059eb9-1
0.386
MAR-TRE-6a44bbf2-13
0.386
AAR-POS-0daf6b7e-3
0.386
WAR-XCH-79d12f6e-6
0.386
AAR-POS-d2a4d1df-36
0.386
MAR-TRE-6a44bbf2-18
0.383
AAR-POS-d2a4d1df-23
0.383
BEN-DND-03406596-10
0.383
LON-WEI-8f408cad-4
0.383
NIM-UNI-05f93fcc-3
0.382
KAT-UNK-b2a0d5b1-1
0.381
MAR-TRE-6a44bbf2-45
0.379
MAK-UNK-7c9d1431-30
0.379
MAK-UNK-7c9d1431-8
0.378
MAR-TRE-6a44bbf2-26
0.378
TAT-ENA-80bfd3e5-43
0.376
MAR-TRE-6a44bbf2-65
0.376
MAK-UNK-7c9d1431-11
0.376
DRR-IMP-db50bf6e-5
0.375
DRR-IMP-dff87f5e-8
0.373
BEN-DND-03406596-2
0.372
BEN-DND-76ad4ac9-12
0.372
BEN-DND-76ad4ac9-13
0.372
BEN-DND-03406596-5
0.372
JAY-UNK-11f5bdbd-1
0.370
NAU-LAT-f723e322-5
0.368
IND-SYN-6c8299e8-2
0.368
BEN-DND-76ad4ac9-14
0.368
BEN-DND-03406596-3
0.368
SAD-SAT-9a6c5cf3-10
0.366
DRR-IMP-dff87f5e-3
0.362
AAR-POS-d2a4d1df-44
0.362
MAK-UNK-7c9d1431-6
0.361
PEI-IMP-ca0b2813-1
0.361
NIM-UNI-05f93fcc-2
0.360
PEI-IMP-ca0b2813-2
0.358
MAT-POS-ee51dedd-2
0.358
DRR-IMP-dff87f5e-1
0.358
AAR-POS-d2a4d1df-27
0.358
MAR-LAB-efb042c5-5
0.358
MAR-TRE-6a44bbf2-68
0.358
AAR-POS-0daf6b7e-15
0.358
KAY-MCD-d0fe5261-1
0.358
MAR-TRE-6a44bbf2-58
0.358
SAD-SAT-f2e2579e-6
0.354
MAK-UNK-7c9d1431-13
0.354
MAR-TRE-6a44bbf2-78
0.354
SAD-SAT-3a925b8b-6
0.354
MAK-UNK-d4768348-8
0.354
TAT-ENA-80bfd3e5-25
0.352
DRR-IMP-dff87f5e-2
0.352
MAK-UNK-7c9d1431-4
0.352
MAK-UNK-7c9d1431-3
0.352
PEI-IMP-ca0b2813-3
0.352
MAK-UNK-d4768348-7
0.349
MAK-UNK-7c9d1431-22
0.349
MAR-TRE-6a44bbf2-49
0.348
MAK-UNK-7c9d1431-7
0.348
SAD-SAT-bc31ec01-5
0.346
MAK-UNK-c74072e5-8
0.345
MAK-UNK-7c9d1431-17
0.345
DRR-IMP-dff87f5e-6
0.345
MAK-UNK-7c9d1431-19
0.345
BEN-DND-03406596-8
0.345
NIM-UNI-05f93fcc-12
0.343
MAK-UNK-d4768348-1
0.341
SAD-SAT-3a925b8b-9
0.341
MAK-UNK-d4768348-4
0.341
MAK-UNK-7c9d1431-10
0.341
MAR-TRE-6a44bbf2-32
0.341
SAD-SAT-bc31ec01-4
0.341
ABB-MCD-f8003a30-1
0.341
BAP-BUY-55f8bcae-1
0.341
BEN-DND-76ad4ac9-10
0.341