Molecular Properties | |
SMILES: | Cc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)c1 |
MW: | 412.07 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 3.1 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-05f93fcc-11
0.750
NIM-UNI-05f93fcc-2
0.662
NIM-UNI-310206f0-69
0.652
NIM-UNI-05f93fcc-14
0.652
NIM-UNI-310206f0-71
0.648
NIM-UNI-05f93fcc-15
0.639
NIM-UNI-05f93fcc-10
0.639
NIM-UNI-05f93fcc-6
0.639
NIM-UNI-310206f0-67
0.634
NIM-UNI-05f93fcc-4
0.582
NIM-UNI-05f93fcc-1
0.561
NIM-UNI-05f93fcc-3
0.554
NIM-UNI-05f93fcc-13
0.554
NIM-UNI-05f93fcc-8
0.548
NIM-UNI-05f93fcc-5
0.547
AAR-POS-0daf6b7e-15
0.545
NIM-UNI-05f93fcc-17
0.539
NIM-UNI-05f93fcc-9
0.532
NIM-UNI-310206f0-68
0.519
RHE-UNK-eb059eb9-1
0.486
MAR-TRE-6a44bbf2-13
0.486
WAR-XCH-79d12f6e-6
0.486
AAR-POS-0daf6b7e-3
0.486
NIM-UNI-05f93fcc-12
0.483
AAR-POS-d2a4d1df-27
0.478
MAR-TRE-6a44bbf2-68
0.478
MAR-LAB-efb042c5-5
0.478
NIM-UNI-05f93fcc-16
0.477
MAK-UNK-c74072e5-6
0.467
AAR-POS-d2a4d1df-36
0.466
LON-WEI-8f408cad-3
0.457
MAR-TRE-6a44bbf2-52
0.457
AAR-POS-d2a4d1df-22
0.457
NIM-UNI-310206f0-70
0.452
SAD-SAT-f2e2579e-3
0.444
MAK-UNK-7c9d1431-8
0.438
MAR-TRE-6a44bbf2-26
0.438
MAR-TRE-6a44bbf2-4
0.431
LON-WEI-8f408cad-2
0.431
AAR-POS-d2a4d1df-32
0.431
DRR-IMP-dff87f5e-4
0.429
BAP-BUY-55f8bcae-1
0.429
MAR-TRE-6a44bbf2-24
0.425
NAU-LAT-f723e322-5
0.419
MAK-UNK-7c9d1431-7
0.418
MAK-UNK-7c9d1431-5
0.418
MAR-TRE-6a44bbf2-31
0.418
MAR-TRE-6a44bbf2-49
0.418
MAT-POS-ee51dedd-2
0.417
DRR-IMP-db50bf6e-5
0.417
MAR-TRE-6a44bbf2-32
0.413
ABB-MCD-f8003a30-1
0.413
DRR-IMP-dff87f5e-8
0.413
MAK-UNK-7c9d1431-10
0.413
JAY-UNK-11f5bdbd-1
0.411
MAK-UNK-7c9d1431-13
0.411
MAR-TRE-6a44bbf2-78
0.411
MAK-UNK-7c9d1431-9
0.408
MAR-TRE-6a44bbf2-21
0.408
MAR-TRE-6a44bbf2-18
0.405
LON-WEI-8f408cad-4
0.405
AAR-POS-d2a4d1df-23
0.405
BEN-DND-03406596-10
0.405
SAD-SAT-f2e2579e-9
0.404
AAR-POS-d2a4d1df-44
0.403
DRR-IMP-dff87f5e-3
0.403
SAD-SAT-bc31ec01-5
0.403
MAK-UNK-7c9d1431-22
0.403
DRR-IMP-dff87f5e-6
0.400
MAK-UNK-e05327b2-8
0.400
MAK-UNK-7c9d1431-6
0.400
MAK-UNK-7c9d1431-17
0.400
MAK-UNK-7c9d1431-11
0.397
MAK-UNK-7c9d1431-19
0.397
TAT-ENA-80bfd3e5-43
0.397
MAR-TRE-6a44bbf2-65
0.397
DRR-IMP-dff87f5e-7
0.397
MAR-TRE-6a44bbf2-58
0.397
SAD-SAT-3a925b8b-2
0.397
KAY-MCD-d0fe5261-1
0.397
DRR-IMP-dff87f5e-1
0.397
MAK-UNK-d4768348-4
0.397
PEI-IMP-ca0b2813-2
0.397
BEN-DND-03406596-5
0.392
BEN-DND-76ad4ac9-13
0.392
MAK-UNK-7c9d1431-12
0.392
IND-SYN-6c8299e8-2
0.388
TAT-ENA-80bfd3e5-25
0.388
PEI-IMP-ca0b2813-3
0.388
MAK-UNK-7c9d1431-4
0.388
MAK-UNK-d4768348-7
0.387
MAK-UNK-d4768348-3
0.387
KAT-UNK-b2a0d5b1-1
0.385
MAK-UNK-7c9d1431-30
0.383
MAR-TRE-6a44bbf2-45
0.383
MAK-UNK-c74072e5-8
0.382
DRR-IMP-dff87f5e-9
0.382
AAR-POS-d2a4d1df-34
0.382
PEI-IMP-ca0b2813-1
0.382
DRR-IMP-dff87f5e-5
0.382