Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 |
MW: | 511.0 |
Fraction sp3: | 0.65 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 78.0 |
cLogP: | 2.21 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-f2e2579e-8
0.684
SAD-SAT-f2e2579e-3
0.636
NIM-UNI-05f93fcc-1
0.623
SAD-SAT-9a6c5cf3-2
0.617
SAD-SAT-f2e2579e-2
0.549
SAD-SAT-f2e2579e-1
0.532
SAD-SAT-f2e2579e-5
0.506
SAD-SAT-9a6c5cf3-10
0.506
SAD-SAT-9a6c5cf3-7
0.500
SAD-SAT-9a6c5cf3-9
0.500
SAD-SAT-9a6c5cf3-5
0.494
SAD-SAT-9a6c5cf3-6
0.489
SAD-SAT-f2e2579e-6
0.489
SAD-SAT-f2e2579e-10
0.488
SAD-SAT-f2e2579e-7
0.484
SAD-SAT-f2e2579e-4
0.483
MAK-UNK-750cfbcc-3
0.457
MAR-TRE-6a44bbf2-79
0.457
BEN-DND-03406596-5
0.451
BEN-DND-76ad4ac9-13
0.451
AAR-POS-0daf6b7e-9
0.444
VIR-GIT-7b3d3065-2
0.444
MAK-UNK-750cfbcc-5
0.444
AAR-POS-0daf6b7e-15
0.442
SAD-SAT-9a6c5cf3-4
0.430
BEN-DND-03406596-8
0.422
MAK-UNK-69bf97dd-3
0.411
NIM-UNI-05f93fcc-11
0.407
NIM-UNI-05f93fcc-5
0.404
NIM-UNI-05f93fcc-7
0.404
NIM-UNI-310206f0-67
0.404
NIM-UNI-05f93fcc-2
0.402
NIM-UNI-310206f0-71
0.400
NIM-UNI-310206f0-69
0.398
NIM-UNI-05f93fcc-14
0.398
NIM-UNI-05f93fcc-9
0.396
NIM-UNI-05f93fcc-6
0.396
BEN-DND-03406596-3
0.395
BEN-DND-76ad4ac9-14
0.395
NIM-UNI-310206f0-70
0.394
NIM-UNI-05f93fcc-3
0.393
MAR-TRE-6a44bbf2-66
0.388
MAK-UNK-750cfbcc-4
0.388
BEN-DND-76ad4ac9-12
0.384
BEN-DND-03406596-2
0.384
NIM-UNI-05f93fcc-15
0.380
NIM-UNI-05f93fcc-10
0.380
DRR-IMP-dff87f5e-4
0.380
BEN-DND-03406596-9
0.379
BEN-DND-76ad4ac9-11
0.379
SAD-SAT-9a6c5cf3-1
0.379
NIM-UNI-05f93fcc-13
0.378
MAK-UNK-704ed37c-1
0.372
AAR-POS-d2a4d1df-22
0.370
DRR-IMP-db50bf6e-5
0.370
LON-WEI-8f408cad-3
0.370
MAR-TRE-6a44bbf2-52
0.370
MAK-UNK-69bf97dd-10
0.370
NIM-UNI-05f93fcc-17
0.370
MAK-UNK-69bf97dd-8
0.368
AHN-SAT-b1e6fbb2-1
0.367
MAK-UNK-704ed37c-4
0.367
MAK-UNK-704ed37c-3
0.367
BEN-DND-03406596-6
0.367
BEN-DND-76ad4ac9-10
0.367
MAK-UNK-7c9d1431-12
0.366
SAD-SAT-b55127ae-3
0.366
MAK-UNK-69bf97dd-7
0.361
NIM-UNI-310206f0-68
0.358
MAK-UNK-69bf97dd-9
0.358
DRR-IMP-dff87f5e-7
0.354
NIM-UNI-05f93fcc-4
0.354
NIM-UNI-05f93fcc-12
0.353
NIM-UNI-05f93fcc-8
0.350
SAD-SAT-3a925b8b-3
0.349
JAY-UNK-11f5bdbd-1
0.349
MAR-TRE-6a44bbf2-21
0.346
MAK-UNK-7c9d1431-9
0.346
MAK-UNK-704ed37c-7
0.346
MAK-UNK-7c9d1431-22
0.345
SAD-SAT-5b1897b2-9
0.342
MAK-UNK-704ed37c-6
0.341
MAK-UNK-c74072e5-8
0.341
MAK-UNK-69bf97dd-1
0.340
KAY-MCD-d0fe5261-1
0.337
MAR-TRE-6a44bbf2-58
0.337
DRR-IMP-dff87f5e-1
0.337
AAR-POS-0daf6b7e-12
0.337
JOH-UNI-27ac80fd-23
0.337
MAT-POS-ee51dedd-2
0.337
PEI-IMP-ca0b2813-4
0.337
MAK-UNK-e05327b2-8
0.337
SAD-SAT-9a6c5cf3-3
0.336
SAD-SAT-3a925b8b-6
0.333
AAR-POS-d2a4d1df-32
0.333
MAR-TRE-6a44bbf2-4
0.333
JOH-UNI-27ac80fd-25
0.333
NIM-UNI-05f93fcc-16
0.333
LON-WEI-8f408cad-2
0.333
YOI-UNK-15f562e8-2
0.333