Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2ncsc2c1)C(C(=O)Nc1ccc(OC)cc1C)c1cccnc1 |
MW: | 458.543 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 84.42 |
cLogP: | 4.90732 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6488473842 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-25
0.747
LON-WEI-b8d98729-30
0.667
LON-WEI-b8d98729-9
0.657
LON-WEI-b8d98729-28
0.657
LON-WEI-b8d98729-31
0.657
LON-WEI-b8d98729-48
0.654
LON-WEI-d1c9908a-3
0.653
LON-WEI-b8d98729-26
0.650
LON-WEI-b8d98729-40
0.647
LON-WEI-b8d98729-44
0.644
LON-WEI-b8d98729-8
0.641
LON-WEI-b8d98729-37
0.641
LON-WEI-b8d98729-38
0.633
LON-WEI-d1c9908a-4
0.629
LON-WEI-b8d98729-43
0.560
LON-WEI-adc59df6-45
0.523
LON-WEI-adc59df6-16
0.495
LON-WEI-8f408cad-10
0.491
LON-WEI-b8d98729-13
0.482
LON-WEI-adc59df6-12
0.460
BRU-LEF-973da26b-1
0.459
LON-WEI-adc59df6-18
0.455
LON-WEI-b8d98729-12
0.455
LON-WEI-b8d98729-19
0.451
LON-WEI-d1c9908a-7
0.450
LON-WEI-b8d98729-47
0.446
RIT-AID-af4ac3d4-1
0.442
LON-WEI-b8d98729-27
0.442
LON-WEI-adc59df6-42
0.436
LON-WEI-d1c9908a-12
0.435
LON-WEI-d1c9908a-5
0.435
LON-WEI-b8d98729-14
0.435
LON-WEI-adc59df6-33
0.435
BRU-THA-92256091-51
0.430
BRU-LEF-e1854a6f-1
0.429
LON-WEI-b8d98729-41
0.425
LON-WEI-adc59df6-37
0.422
LON-WEI-b8d98729-11
0.422
ALP-POS-e980f4ea-24
0.422
ALP-POS-ced8ea4d-24
0.415
LON-WEI-adc59df6-79
0.411
LON-WEI-8f408cad-9
0.411
LON-WEI-adc59df6-9
0.410
LON-WEI-b8d98729-16
0.410
LON-WEI-b8d98729-42
0.408
LON-WEI-d1c9908a-9
0.407
LON-WEI-adc59df6-73
0.405
NIM-NMI-8bb27a2b-22
0.404
LON-WEI-adc59df6-84
0.404
LON-WEI-b8d98729-35
0.402
LON-WEI-b8d98729-36
0.402
LON-WEI-adc59df6-34
0.398
JAN-GHE-d851b096-9
0.398
LON-WEI-b8d98729-45
0.397
LON-WEI-adc59df6-87
0.397
RAL-MED-9a5eb9cb-6
0.396
NIM-NMI-8bb27a2b-21
0.395
RAL-MED-9a5eb9cb-14
0.394
LON-WEI-d1c9908a-13
0.393
LON-WEI-adc59df6-14
0.393
LON-WEI-b8d98729-18
0.392
LON-WEI-b8d98729-29
0.392
BRU-LEF-8bac3ce8-1
0.391
LON-WEI-b8d98729-17
0.390
LON-WEI-adc59df6-5
0.390
LON-WEI-b8d98729-22
0.390
LON-WEI-adc59df6-13
0.389
LON-WEI-adc59df6-88
0.388
LON-WEI-adc59df6-24
0.388
JAN-GHE-d851b096-4
0.388
LON-WEI-adc59df6-38
0.388
LON-WEI-adc59df6-44
0.387
LON-WEI-d1c9908a-10
0.387
LON-WEI-b8d98729-33
0.387
NIM-NMI-8bb27a2b-25
0.387
LON-WEI-adc59df6-35
0.386
LON-WEI-adc59df6-68
0.385
JAN-GHE-d851b096-8
0.384
LON-WEI-b8d98729-2
0.383
DAR-DIA-2b784ede-53
0.383
LON-WEI-adc59df6-3
0.383
LON-WEI-adc59df6-103
0.383
LON-WEI-adc59df6-30
0.382
LON-WEI-d1c9908a-11
0.381
LON-WEI-adc59df6-46
0.381
LON-WEI-adc59df6-65
0.381
LON-WEI-b8d98729-10
0.381
LON-WEI-b8d98729-39
0.380
ERI-UCB-fbdd3ea1-1
0.380
ERI-UCB-fbdd3ea1-2
0.380
LON-WEI-adc59df6-8
0.379
LON-WEI-adc59df6-41
0.379
LON-WEI-b8d98729-7
0.378
LON-WEI-adc59df6-91
0.377
LON-WEI-adc59df6-101
0.377
RAL-MED-9a5eb9cb-9
0.377
NIM-NMI-8bb27a2b-26
0.377
LON-WEI-8f408cad-8
0.376
RAL-MED-9a5eb9cb-10
0.376
LON-WEI-b8d98729-24
0.376