Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2ncsc2c1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1 |
MW: | 448.935 |
Fraction sp3: | 0.04 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.19 |
cLogP: | 5.2437 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7760709467 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-9
0.841
LON-WEI-b8d98729-25
0.804
LON-WEI-b8d98729-38
0.710
LON-WEI-b8d98729-31
0.688
LON-WEI-b8d98729-48
0.650
LON-WEI-b8d98729-1
0.644
LON-WEI-b8d98729-11
0.629
LON-WEI-b8d98729-24
0.604
LON-WEI-b8d98729-33
0.596
LON-WEI-b8d98729-22
0.586
LON-WEI-d1c9908a-2
0.586
LON-WEI-b8d98729-14
0.534
LON-WEI-b8d98729-21
0.529
JAN-GHE-d851b096-9
0.525
JAN-GHE-d851b096-4
0.525
LON-WEI-8f408cad-10
0.509
LON-WEI-adc59df6-41
0.500
LON-WEI-b8d98729-35
0.495
BRU-LEF-973da26b-1
0.490
LON-WEI-b8d98729-12
0.486
LON-WEI-d1c9908a-11
0.486
RAL-MED-9a5eb9cb-9
0.485
LON-WEI-d1c9908a-7
0.481
LON-WEI-b8d98729-47
0.476
LON-WEI-b8d98729-27
0.472
RIT-AID-af4ac3d4-1
0.472
ALP-POS-568d9d36-1
0.465
LON-WEI-d1c9908a-5
0.463
NIM-NMI-8bb27a2b-25
0.463
LON-WEI-adc59df6-46
0.458
BRU-LEF-e1854a6f-1
0.457
BRU-THA-92256091-51
0.455
LON-WEI-adc59df6-5
0.454
LON-WEI-adc59df6-37
0.450
LON-WEI-adc59df6-33
0.450
LON-WEI-adc59df6-13
0.448
LON-WEI-b8d98729-16
0.447
WIL-UNI-a125ac6f-1
0.447
ALP-POS-e980f4ea-24
0.446
LON-WEI-b8d98729-13
0.445
ALP-POS-ced8ea4d-24
0.439
LON-WEI-adc59df6-42
0.438
NIM-NMI-8bb27a2b-26
0.438
JAN-GHE-d851b096-8
0.437
LON-WEI-adc59df6-12
0.436
LON-WEI-adc59df6-15
0.436
LON-WEI-adc59df6-24
0.425
LON-WEI-adc59df6-79
0.425
LON-WEI-d1c9908a-12
0.423
LON-WEI-adc59df6-43
0.421
LON-WEI-adc59df6-4
0.421
LON-WEI-adc59df6-20
0.418
LON-WEI-d1c9908a-6
0.417
BRU-LEF-8bac3ce8-1
0.417
NIM-NMI-8bb27a2b-28
0.414
LON-WEI-b8d98729-17
0.414
LON-WEI-adc59df6-11
0.414
LON-WEI-b8d98729-41
0.413
LON-WEI-8f408cad-9
0.411
RAL-MED-9a5eb9cb-6
0.410
LON-WEI-adc59df6-3
0.410
LON-WEI-adc59df6-38
0.410
LON-WEI-b8d98729-42
0.409
RAL-MED-9a5eb9cb-14
0.408
LON-WEI-adc59df6-30
0.408
NIM-NMI-8bb27a2b-21
0.407
LON-WEI-adc59df6-14
0.406
LON-WEI-adc59df6-73
0.406
LON-WEI-b8d98729-30
0.405
RAL-MED-9a5eb9cb-10
0.402
LON-WEI-b8d98729-19
0.402
LON-WEI-adc59df6-44
0.400
LON-WEI-adc59df6-9
0.398
LON-WEI-adc59df6-35
0.398
LON-WEI-adc59df6-45
0.397
LON-WEI-adc59df6-39
0.396
LON-WEI-adc59df6-68
0.396
NIM-NMI-8bb27a2b-17
0.396
LON-WEI-adc59df6-16
0.395
RAL-MED-9a5eb9cb-15
0.394
LON-WEI-adc59df6-103
0.394
LON-WEI-adc59df6-18
0.393
LON-WEI-adc59df6-100
0.393
LON-WEI-adc59df6-8
0.391
NIM-NMI-8bb27a2b-22
0.391
LON-WEI-b8d98729-7
0.390
LON-WEI-b8d98729-36
0.390
NIM-NMI-8bb27a2b-8
0.390
LON-WEI-8f408cad-8
0.388
LON-WEI-adc59df6-88
0.388
NIM-NMI-8bb27a2b-15
0.387
RAL-MED-9a5eb9cb-4
0.386
LON-WEI-adc59df6-34
0.386
LON-WEI-b8d98729-28
0.385
LON-WEI-adc59df6-21
0.385
NIM-NMI-8bb27a2b-27
0.385
LON-WEI-b8d98729-32
0.383
DAR-DIA-2b784ede-53
0.383
LON-WEI-d1c9908a-9
0.383
LON-WEI-b8d98729-26
0.381