Molecular Properties | |
SMILES: | Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)cc1 |
MW: | 398.05 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 2.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-05f93fcc-14
0.803
NIM-UNI-05f93fcc-15
0.781
NIM-UNI-05f93fcc-2
0.758
NIM-UNI-05f93fcc-10
0.754
NIM-UNI-05f93fcc-7
0.750
NIM-UNI-310206f0-69
0.746
NIM-UNI-310206f0-67
0.697
NIM-UNI-05f93fcc-6
0.676
NIM-UNI-310206f0-71
0.662
NIM-UNI-05f93fcc-4
0.613
NIM-UNI-05f93fcc-1
0.597
NIM-UNI-05f93fcc-3
0.586
NIM-UNI-05f93fcc-13
0.586
NIM-UNI-05f93fcc-9
0.583
AAR-POS-0daf6b7e-15
0.581
NIM-UNI-05f93fcc-5
0.577
NIM-UNI-05f93fcc-8
0.575
NIM-UNI-05f93fcc-17
0.569
MAR-LAB-efb042c5-5
0.556
AAR-POS-d2a4d1df-27
0.556
MAR-TRE-6a44bbf2-68
0.556
NIM-UNI-310206f0-68
0.547
NIM-UNI-05f93fcc-16
0.519
NIM-UNI-05f93fcc-12
0.506
AAR-POS-d2a4d1df-22
0.485
LON-WEI-8f408cad-3
0.485
MAR-TRE-6a44bbf2-52
0.485
AAR-POS-d2a4d1df-32
0.478
MAR-TRE-6a44bbf2-4
0.478
LON-WEI-8f408cad-2
0.478
DRR-IMP-dff87f5e-4
0.477
NIM-UNI-310206f0-70
0.475
MAK-UNK-c74072e5-6
0.472
AAR-POS-d2a4d1df-36
0.471
WAR-XCH-79d12f6e-6
0.471
AAR-POS-0daf6b7e-3
0.471
RHE-UNK-eb059eb9-1
0.471
MAR-TRE-6a44bbf2-13
0.471
BAP-BUY-55f8bcae-1
0.452
SAD-SAT-f2e2579e-3
0.449
MAR-TRE-6a44bbf2-26
0.443
MAK-UNK-7c9d1431-8
0.443
MAT-POS-ee51dedd-2
0.441
DRR-IMP-dff87f5e-8
0.437
MAK-UNK-e05327b2-8
0.435
MAK-UNK-7c9d1431-13
0.435
MAR-TRE-6a44bbf2-78
0.435
JAY-UNK-11f5bdbd-1
0.435
MAK-UNK-7c9d1431-9
0.433
MAR-TRE-6a44bbf2-21
0.433
BEN-DND-03406596-10
0.429
MAR-TRE-6a44bbf2-24
0.429
MAR-TRE-6a44bbf2-18
0.429
LON-WEI-8f408cad-4
0.429
AAR-POS-d2a4d1df-23
0.429
DRR-IMP-dff87f5e-3
0.426
AAR-POS-d2a4d1df-44
0.426
MAK-UNK-7c9d1431-22
0.425
AHN-SAT-de2502ba-8
0.424
AAR-POS-d2a4d1df-25
0.424
MAK-UNK-7c9d1431-6
0.423
MAK-UNK-7c9d1431-17
0.423
NAU-LAT-f723e322-5
0.422
MAK-UNK-d4768348-4
0.420
PEI-IMP-ca0b2813-2
0.420
DRR-IMP-db50bf6e-5
0.420
DRR-IMP-dff87f5e-7
0.420
MAR-TRE-6a44bbf2-58
0.420
SAD-SAT-3a925b8b-2
0.420
KAY-MCD-d0fe5261-1
0.420
DRR-IMP-dff87f5e-1
0.420
TAT-ENA-80bfd3e5-43
0.419
MAR-TRE-6a44bbf2-65
0.419
MAK-UNK-7c9d1431-11
0.419
MAR-TRE-6a44bbf2-32
0.417
ABB-MCD-f8003a30-1
0.417
MAK-UNK-7c9d1431-10
0.417
MAK-UNK-7c9d1431-12
0.414
BEN-DND-76ad4ac9-13
0.413
BEN-DND-03406596-5
0.413
MAK-UNK-d4768348-7
0.408
PEI-IMP-ca0b2813-3
0.408
MAK-UNK-7c9d1431-4
0.408
TAT-ENA-80bfd3e5-25
0.408
SAD-SAT-f2e2579e-9
0.407
SAD-SAT-bc31ec01-5
0.406
DRR-IMP-dff87f5e-5
0.403
MAR-TRE-6a44bbf2-8
0.403
PEI-IMP-ca0b2813-1
0.403
MAK-UNK-c74072e5-8
0.403
DRR-IMP-dff87f5e-6
0.403
DRR-IMP-dff87f5e-9
0.403
AAR-POS-d2a4d1df-34
0.403
MAK-UNK-7c9d1431-5
0.403
MAR-TRE-6a44bbf2-31
0.403
MAR-TRE-6a44bbf2-49
0.403
MAK-UNK-7c9d1431-7
0.403
PEI-IMP-668afc53-1
0.402
MAK-UNK-d4768348-1
0.400
SAD-SAT-3a925b8b-9
0.400