Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1 |
MW: | 437.952 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 5.3559 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7720732840 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-47
0.790
LON-WEI-d1c9908a-2
0.729
LON-WEI-b8d98729-22
0.729
LON-WEI-b8d98729-33
0.721
LON-WEI-b8d98729-11
0.663
LON-WEI-b8d98729-6
0.659
LON-WEI-adc59df6-41
0.644
JAN-GHE-d851b096-4
0.636
LON-WEI-b8d98729-2
0.620
BRU-LEF-973da26b-1
0.614
LON-WEI-b8d98729-40
0.606
RIT-AID-af4ac3d4-1
0.604
LON-WEI-d1c9908a-11
0.604
LON-WEI-b8d98729-44
0.604
LON-WEI-d1c9908a-7
0.600
LON-WEI-b8d98729-35
0.598
RAL-MED-9a5eb9cb-9
0.591
ALP-POS-568d9d36-1
0.588
LON-WEI-b8d98729-12
0.587
LON-WEI-b8d98729-27
0.587
LON-WEI-d1c9908a-5
0.574
LON-WEI-adc59df6-46
0.570
LON-WEI-b8d98729-21
0.568
WIL-UNI-a125ac6f-1
0.562
NIM-NMI-8bb27a2b-25
0.558
LON-WEI-b8d98729-14
0.558
LON-WEI-adc59df6-33
0.542
LON-WEI-adc59df6-42
0.533
JAN-GHE-d851b096-9
0.533
LON-WEI-adc59df6-5
0.531
LON-WEI-8f408cad-10
0.531
LON-WEI-adc59df6-12
0.526
LON-WEI-adc59df6-15
0.526
LON-WEI-adc59df6-37
0.526
LON-WEI-adc59df6-24
0.525
LON-WEI-adc59df6-3
0.523
LON-WEI-adc59df6-20
0.521
LON-WEI-adc59df6-13
0.519
LON-WEI-adc59df6-30
0.517
RAL-MED-9a5eb9cb-10
0.511
LON-WEI-b8d98729-9
0.505
LON-WEI-adc59df6-4
0.505
LON-WEI-adc59df6-43
0.505
LON-WEI-d1c9908a-6
0.500
NIM-NMI-8bb27a2b-28
0.500
LON-WEI-adc59df6-11
0.495
LON-WEI-b8d98729-17
0.495
NIM-NMI-8bb27a2b-26
0.495
LON-WEI-adc59df6-9
0.495
LON-WEI-8f408cad-8
0.494
LON-WEI-d1c9908a-9
0.490
LON-WEI-adc59df6-16
0.490
NIM-NMI-8bb27a2b-21
0.490
BRU-LEF-e1854a6f-1
0.490
NIM-NMI-8bb27a2b-22
0.490
LON-WEI-adc59df6-44
0.489
LON-WEI-adc59df6-21
0.489
LON-WEI-b8d98729-25
0.486
LON-WEI-adc59df6-78
0.485
LON-WEI-adc59df6-17
0.484
LON-WEI-adc59df6-95
0.484
LON-WEI-adc59df6-80
0.484
LON-WEI-b8d98729-36
0.481
LON-WEI-adc59df6-34
0.480
LON-WEI-d1c9908a-12
0.480
LON-WEI-adc59df6-14
0.479
LON-WEI-adc59df6-82
0.479
LON-WEI-b8d98729-7
0.478
RAL-MED-9a5eb9cb-12
0.478
ERI-UCB-fbdd3ea1-4
0.478
LON-WEI-adc59df6-18
0.475
BRU-LEF-8bac3ce8-1
0.474
RAL-MED-9a5eb9cb-6
0.472
LON-WEI-d1c9908a-13
0.471
LON-WEI-adc59df6-23
0.470
LON-WEI-b8d98729-19
0.470
LON-WEI-b8d98729-41
0.469
LON-WEI-adc59df6-10
0.469
LON-WEI-adc59df6-35
0.469
LON-WEI-d1c9908a-1
0.468
NIM-NMI-8bb27a2b-17
0.468
RAL-MED-9a5eb9cb-14
0.467
LON-WEI-d1c9908a-10
0.465
RAL-MED-9a5eb9cb-4
0.465
LON-WEI-adc59df6-39
0.465
LON-WEI-adc59df6-28
0.464
LON-WEI-adc59df6-31
0.463
LON-WEI-b8d98729-10
0.463
LON-WEI-adc59df6-29
0.463
LON-WEI-b8d98729-16
0.462
LON-WEI-adc59df6-45
0.462
LON-WEI-adc59df6-38
0.459
LON-WEI-adc59df6-8
0.459
LON-WEI-adc59df6-91
0.458
RAL-MED-9a5eb9cb-5
0.457
ERI-UCB-fbdd3ea1-1
0.456
LON-WEI-b8d98729-29
0.456
ERI-UCB-fbdd3ea1-2
0.456
LON-WEI-d1c9908a-3
0.456
LON-WEI-b8d98729-39
0.456