Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CC(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 |
MW: | 408.505 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 99.68 |
cLogP: | 1.1771 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-7264f48c-1
0.632
MAK-UNK-7264f48c-3
0.598
MAK-UNK-7264f48c-6
0.585
MAK-UNK-7264f48c-5
0.556
MAK-UNK-7264f48c-4
0.554
MAT-POS-ee51dedd-2
0.521
MAK-UNK-4c6b313a-1
0.500
MAK-UNK-6435e6c2-10
0.500
MAK-UNK-6435e6c2-11
0.500
SAD-SAT-bc31ec01-9
0.493
MAK-UNK-10dfa458-18
0.466
MAK-UNK-10dfa458-46
0.459
SAD-SAT-7d5528d9-2
0.372
PEI-IMP-ca0b2813-1
0.370
ANU-UNK-2781581f-2
0.370
PEI-IMP-ca0b2813-2
0.367
MAK-UNK-902cc841-18
0.355
DAN-MCD-a37c31cb-1
0.354
DAN-MCD-e5161b06-1
0.354
DAN-MCD-68a9aade-1
0.354
SIM-SYN-a98e6a07-1
0.350
DAR-DIA-03336633-8
0.343
DAN-MCD-0fb4364c-1
0.337
ALE-MCD-4ac17b19-1
0.333
DAR-DIA-03336633-9
0.333
MAR-TRE-6a44bbf2-78
0.329
MAK-UNK-7c9d1431-13
0.329
DAN-MCD-3bfdcef2-1
0.327
DAN-MCD-0c04f563-1
0.327
MAK-UNK-f2409524-28
0.327
MAK-UNK-7c9d1431-9
0.325
MAR-TRE-6a44bbf2-21
0.325
MAK-UNK-f2409524-23
0.324
MAK-UNK-f2409524-27
0.323
MAK-UNK-7c9d1431-11
0.322
KEN-MCD-6084b33e-1
0.322
TAT-ENA-80bfd3e5-43
0.322
MAR-TRE-6a44bbf2-65
0.322
MAK-UNK-7c9d1431-17
0.321
DAN-MCD-50d01569-1
0.321
DAN-MCD-02570321-1
0.321
DAR-DIA-03336633-11
0.320
DAN-MCD-c163c0bb-1
0.320
MAK-UNK-bdda130a-4
0.320
PET-SGC-c429dc17-1
0.319
CES-WAB-18e74d70-1
0.319
NIM-UNI-310206f0-69
0.319
KAY-MCD-59dc2eb3-1
0.318
MAR-LAB-efb042c5-5
0.317
AAR-POS-d2a4d1df-27
0.317
MAR-TRE-6a44bbf2-68
0.317
SWA-SYN-d2e6fa14-4
0.317
SWA-SYN-6423ea73-4
0.317
MAK-UNK-f2409524-24
0.317
DAR-DIA-03336633-10
0.314
JAY-UNK-11f5bdbd-1
0.313
MAK-UNK-902cc841-17
0.312
MAK-UNK-bdda130a-1
0.311
DAN-MCD-f396e45b-1
0.311
DAN-MCD-9cdc9f7f-1
0.311
MAK-UNK-bdda130a-6
0.310
CHA-KIN-ceadbd93-4
0.309
MAK-UNK-009ebe36-2
0.309
DAN-MCD-3ec20f87-1
0.309
WAR-XCH-e55cba98-8
0.309
MAK-UNK-902cc841-16
0.309
DAN-MCD-9950a804-1
0.308
DAN-MCD-1a622181-1
0.308
DAN-MCD-7eba3d41-1
0.307
MAK-UNK-bdda130a-2
0.307
MAK-UNK-7c9d1431-19
0.307
DAN-MCD-0742953f-1
0.306
MAK-UNK-f2409524-1
0.306
MAK-UNK-f2409524-26
0.306
MAK-UNK-7c9d1431-8
0.306
MAR-TRE-6a44bbf2-26
0.306
AAR-POS-d2a4d1df-44
0.305
DRR-IMP-dff87f5e-3
0.305
ABB-MCD-f549d731-1
0.304
WIL-UNI-5578df48-11
0.303
WAR-XCH-e55cba98-4
0.303
MAK-UNK-f2409524-2
0.303
MAK-UNK-f2409524-15
0.303
MAK-UNK-f2409524-30
0.303
ABB-MCD-f8003a30-1
0.302
MIH-UNI-6b9ca91a-1
0.302
MAR-TRE-6a44bbf2-32
0.302
KAY-MCD-d0fe5261-1
0.301
MAR-TRE-6a44bbf2-58
0.301
DRR-IMP-dff87f5e-7
0.301
SAD-SAT-3a925b8b-2
0.301
DRR-IMP-dff87f5e-1
0.301
DAN-MCD-cb24a79d-1
0.301
DAN-MCD-9b81d1fa-1
0.301
DAN-MCD-b3a5626f-1
0.301
PEI-IMP-ca0b2813-3
0.300
RIT-AID-b8bd8251-1
0.299
SAD-SAT-2ceae68f-1
0.299
IND-SYN-6c8299e8-7
0.298
MAT-POS-b5746674-56
0.298