Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 433.533 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 4.7111 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4134532601 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-24
0.790
BRU-LEF-973da26b-1
0.787
RIT-AID-af4ac3d4-1
0.771
LON-WEI-d1c9908a-7
0.768
LON-WEI-b8d98729-12
0.750
LON-WEI-b8d98729-27
0.750
LON-WEI-d1c9908a-5
0.733
LON-WEI-b8d98729-40
0.708
LON-WEI-8f408cad-10
0.659
LON-WEI-b8d98729-6
0.651
RAL-MED-9a5eb9cb-6
0.630
NIM-NMI-8bb27a2b-25
0.620
LON-WEI-b8d98729-25
0.619
BRU-LEF-e1854a6f-1
0.618
LON-WEI-adc59df6-41
0.618
LON-WEI-b8d98729-2
0.613
LON-WEI-b8d98729-22
0.609
RAL-MED-9a5eb9cb-4
0.602
RAL-MED-9a5eb9cb-14
0.600
LON-WEI-d1c9908a-11
0.598
LON-WEI-b8d98729-35
0.591
RAL-MED-9a5eb9cb-5
0.588
LON-WEI-adc59df6-12
0.585
LON-WEI-d1c9908a-2
0.574
LON-WEI-adc59df6-13
0.574
LON-WEI-b8d98729-33
0.568
LON-WEI-adc59df6-37
0.568
RAL-MED-9a5eb9cb-9
0.567
JAN-GHE-d851b096-4
0.559
RAL-MED-9a5eb9cb-8
0.554
RAL-MED-9a5eb9cb-3
0.543
LON-WEI-d1c9908a-3
0.541
RAL-MED-9a5eb9cb-1
0.537
LON-WEI-b8d98729-14
0.536
LON-WEI-adc59df6-24
0.535
LON-WEI-adc59df6-46
0.531
LON-WEI-b8d98729-8
0.530
LON-WEI-b8d98729-28
0.530
LON-WEI-b8d98729-37
0.530
LON-WEI-adc59df6-45
0.530
LON-WEI-b8d98729-11
0.520
NIM-NMI-8bb27a2b-26
0.520
LON-WEI-d1c9908a-4
0.520
LON-WEI-adc59df6-3
0.517
LON-WEI-adc59df6-18
0.515
LON-WEI-adc59df6-30
0.511
LON-WEI-adc59df6-5
0.510
RAL-MED-9a5eb9cb-10
0.506
LON-WEI-adc59df6-87
0.505
LON-WEI-adc59df6-15
0.505
LON-WEI-b8d98729-17
0.505
RAL-MED-9a5eb9cb-7
0.500
LON-WEI-b8d98729-9
0.500
LON-WEI-adc59df6-4
0.500
LON-WEI-adc59df6-43
0.500
LON-WEI-b8d98729-19
0.495
LON-WEI-adc59df6-42
0.495
LON-WEI-adc59df6-11
0.490
LON-WEI-b8d98729-10
0.489
LON-WEI-8f408cad-8
0.489
NIM-NMI-8bb27a2b-22
0.485
LON-WEI-adc59df6-44
0.484
LON-WEI-adc59df6-21
0.484
LON-WEI-b8d98729-26
0.481
LON-WEI-b8d98729-30
0.481
LON-WEI-d1c9908a-6
0.481
LON-WEI-adc59df6-78
0.480
NIM-NMI-8bb27a2b-19
0.479
LON-WEI-adc59df6-17
0.479
LON-WEI-adc59df6-26
0.479
LON-WEI-adc59df6-95
0.479
LON-WEI-adc59df6-80
0.478
NIM-NMI-8bb27a2b-8
0.476
LON-WEI-b8d98729-44
0.476
LON-WEI-adc59df6-33
0.475
LON-WEI-adc59df6-9
0.475
LON-WEI-d1c9908a-12
0.475
LON-WEI-adc59df6-82
0.474
LON-WEI-adc59df6-14
0.474
ERI-UCB-fbdd3ea1-4
0.473
RAL-MED-9a5eb9cb-12
0.473
LON-WEI-b8d98729-7
0.473
LON-WEI-b8d98729-45
0.471
LON-WEI-d1c9908a-9
0.471
LON-WEI-adc59df6-16
0.471
LON-WEI-adc59df6-27
0.469
BRU-LEF-8bac3ce8-1
0.469
LON-WEI-adc59df6-38
0.468
LON-WEI-b8d98729-41
0.465
LON-WEI-adc59df6-10
0.465
NIM-NMI-8bb27a2b-24
0.464
LON-WEI-adc59df6-35
0.464
JAN-GHE-d851b096-9
0.464
NIM-NMI-8bb27a2b-17
0.463
LON-WEI-d1c9908a-1
0.463
LON-WEI-b8d98729-36
0.462
LON-WEI-adc59df6-34
0.461
LON-WEI-d1c9908a-10
0.461
NIM-NMI-8bb27a2b-23
0.460
LON-WEI-adc59df6-29
0.458