Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)s2)CC1 |
MW: | 418.0 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 3.14 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-05f93fcc-2
0.623
NIM-UNI-05f93fcc-11
0.586
AAR-POS-0daf6b7e-15
0.578
NIM-UNI-05f93fcc-5
0.575
NIM-UNI-05f93fcc-16
0.575
NIM-UNI-05f93fcc-14
0.569
NIM-UNI-310206f0-69
0.569
NIM-UNI-05f93fcc-13
0.562
NIM-UNI-05f93fcc-12
0.561
NIM-UNI-05f93fcc-6
0.560
NIM-UNI-310206f0-67
0.554
NIM-UNI-05f93fcc-7
0.554
NIM-UNI-05f93fcc-17
0.547
NIM-UNI-310206f0-71
0.547
NIM-UNI-05f93fcc-1
0.545
NIM-UNI-05f93fcc-10
0.539
NIM-UNI-05f93fcc-15
0.539
NIM-UNI-05f93fcc-9
0.539
NIM-UNI-310206f0-68
0.526
MAK-UNK-7c9d1431-12
0.522
DRR-IMP-dff87f5e-4
0.500
NIM-UNI-05f93fcc-4
0.494
AAR-POS-d2a4d1df-22
0.485
MAR-TRE-6a44bbf2-52
0.485
LON-WEI-8f408cad-3
0.485
AAR-POS-d2a4d1df-32
0.478
LON-WEI-8f408cad-2
0.478
MAR-TRE-6a44bbf2-4
0.478
SAD-SAT-f2e2579e-3
0.468
NIM-UNI-05f93fcc-8
0.466
MAK-UNK-c74072e5-6
0.457
MAK-UNK-7c9d1431-9
0.456
MAR-TRE-6a44bbf2-21
0.456
DRR-IMP-dff87f5e-5
0.444
MAR-TRE-6a44bbf2-8
0.444
AAR-POS-d2a4d1df-34
0.444
SAD-SAT-3a925b8b-2
0.443
NIM-UNI-310206f0-70
0.440
MAK-UNK-e05327b2-8
0.437
DRR-IMP-dff87f5e-3
0.429
AAR-POS-d2a4d1df-44
0.429
PEI-IMP-ca0b2813-4
0.427
DRR-IMP-db50bf6e-5
0.423
MAT-POS-ee51dedd-2
0.423
PEI-IMP-668afc53-1
0.422
DRR-IMP-dff87f5e-8
0.419
JAY-UNK-11f5bdbd-1
0.417
BEN-DND-03406596-5
0.416
BEN-DND-76ad4ac9-13
0.416
LON-WEI-8f408cad-4
0.411
AAR-POS-d2a4d1df-23
0.411
MAR-TRE-6a44bbf2-18
0.411
BEN-DND-03406596-10
0.411
SAD-SAT-bc31ec01-5
0.408
MAK-UNK-7c9d1431-22
0.408
PEI-IMP-ca0b2813-1
0.405
MAK-UNK-7c9d1431-6
0.405
MAR-TRE-6a44bbf2-68
0.403
KAY-MCD-d0fe5261-1
0.403
MAR-LAB-efb042c5-5
0.403
AAR-POS-d2a4d1df-27
0.403
PEI-IMP-ca0b2813-2
0.403
MAR-TRE-6a44bbf2-58
0.403
DRR-IMP-dff87f5e-1
0.403
DRR-IMP-dff87f5e-7
0.403
SAD-SAT-3a925b8b-9
0.403
AAR-POS-d2a4d1df-37
0.403
MAR-TRE-6a44bbf2-7
0.403
MAK-UNK-7c9d1431-10
0.400
DRR-IMP-db50bf6e-4
0.397
BEN-DND-03406596-2
0.397
BEN-DND-76ad4ac9-12
0.397
MAR-TRE-6a44bbf2-78
0.397
MAK-UNK-7c9d1431-13
0.397
SAD-SAT-3a925b8b-6
0.397
SAD-SAT-f2e2579e-9
0.393
MAK-UNK-7c9d1431-4
0.392
BEN-DND-03406596-9
0.392
BEN-DND-76ad4ac9-11
0.392
TAT-ENA-80bfd3e5-25
0.392
DRR-IMP-dff87f5e-2
0.392
MAK-UNK-7c9d1431-3
0.392
SAD-SAT-bc31ec01-10
0.391
MAK-UNK-7c9d1431-7
0.388
MAR-TRE-6a44bbf2-49
0.388
MAK-UNK-7c9d1431-8
0.387
DRR-IMP-dff87f5e-6
0.387
DRR-IMP-dff87f5e-9
0.387
MAR-TRE-6a44bbf2-26
0.387
MAK-UNK-c74072e5-8
0.387
MAK-UNK-7c9d1431-17
0.387
MAK-UNK-7c9d1431-11
0.385
MAR-TRE-6a44bbf2-65
0.385
TAT-ENA-80bfd3e5-43
0.385
GIA-UNK-7337c2f3-3
0.385
MAK-UNK-d4768348-1
0.384
MAK-UNK-d4768348-4
0.384
MAK-UNK-c74072e5-4
0.382
ABB-MCD-f8003a30-1
0.382
SAD-SAT-bc31ec01-4
0.382