Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)Nc1ccc(OC)cc1C)c1cccnc1 |
MW: | 447.56 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 5.01952 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2388939016 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-3
0.784
LON-WEI-b8d98729-8
0.767
LON-WEI-b8d98729-37
0.767
LON-WEI-b8d98729-28
0.767
LON-WEI-d1c9908a-4
0.750
LON-WEI-b8d98729-47
0.708
LON-WEI-b8d98729-26
0.702
LON-WEI-b8d98729-30
0.702
LON-WEI-b8d98729-1
0.647
LON-WEI-b8d98729-43
0.616
LON-WEI-adc59df6-16
0.608
LON-WEI-b8d98729-2
0.608
LON-WEI-b8d98729-6
0.607
LON-WEI-b8d98729-24
0.606
LON-WEI-adc59df6-45
0.606
BRU-LEF-973da26b-1
0.552
LON-WEI-adc59df6-12
0.550
RIT-AID-af4ac3d4-1
0.545
LON-WEI-d1c9908a-7
0.541
LON-WEI-b8d98729-12
0.530
LON-WEI-b8d98729-27
0.530
LON-WEI-adc59df6-18
0.530
LON-WEI-adc59df6-33
0.520
LON-WEI-d1c9908a-5
0.520
LON-WEI-adc59df6-42
0.510
LON-WEI-b8d98729-19
0.510
LON-WEI-8f408cad-10
0.510
LON-WEI-d1c9908a-9
0.500
LON-WEI-adc59df6-9
0.490
NIM-NMI-8bb27a2b-22
0.485
LON-WEI-d1c9908a-13
0.481
LON-WEI-b8d98729-41
0.480
LON-WEI-b8d98729-36
0.477
LON-WEI-adc59df6-24
0.477
LON-WEI-adc59df6-34
0.476
LON-WEI-adc59df6-37
0.476
LON-WEI-d1c9908a-12
0.476
LON-WEI-b8d98729-45
0.472
LON-WEI-b8d98729-13
0.472
LON-WEI-adc59df6-46
0.471
LON-WEI-adc59df6-41
0.471
LON-WEI-adc59df6-3
0.468
LON-WEI-b8d98729-22
0.467
LON-WEI-b8d98729-35
0.467
JAN-GHE-d851b096-4
0.466
LON-WEI-adc59df6-30
0.464
LON-WEI-b8d98729-17
0.464
LON-WEI-d1c9908a-10
0.462
NIM-NMI-8bb27a2b-25
0.462
LON-WEI-adc59df6-87
0.462
LON-WEI-adc59df6-82
0.460
LON-WEI-b8d98729-10
0.460
LON-WEI-8f408cad-8
0.458
RAL-MED-9a5eb9cb-10
0.458
NIM-NMI-8bb27a2b-21
0.458
LON-WEI-d1c9908a-11
0.457
RAL-MED-9a5eb9cb-9
0.455
LON-WEI-b8d98729-25
0.455
LON-WEI-adc59df6-44
0.455
LON-WEI-b8d98729-29
0.454
ERI-UCB-fbdd3ea1-1
0.454
LON-WEI-b8d98729-39
0.454
ERI-UCB-fbdd3ea1-2
0.454
LON-WEI-adc59df6-21
0.454
LON-WEI-adc59df6-5
0.453
LON-WEI-adc59df6-78
0.452
LON-WEI-adc59df6-26
0.451
LON-WEI-adc59df6-17
0.451
NIM-NMI-8bb27a2b-19
0.451
LON-WEI-adc59df6-80
0.449
LON-WEI-b8d98729-14
0.449
LON-WEI-b8d98729-33
0.449
LON-WEI-adc59df6-15
0.449
LON-WEI-adc59df6-14
0.446
LON-WEI-d1c9908a-8
0.445
LON-WEI-b8d98729-7
0.444
ERI-UCB-fbdd3ea1-4
0.444
RAL-MED-9a5eb9cb-12
0.444
BRU-LEF-e1854a6f-1
0.442
LON-WEI-adc59df6-27
0.442
BRU-LEF-8bac3ce8-1
0.442
LON-WEI-d1c9908a-6
0.441
LON-WEI-adc59df6-91
0.441
LON-WEI-adc59df6-83
0.439
LON-WEI-d1c9908a-2
0.439
LON-WEI-adc59df6-10
0.438
RAL-MED-9a5eb9cb-6
0.438
LON-WEI-adc59df6-35
0.437
LON-WEI-adc59df6-95
0.437
NIM-NMI-8bb27a2b-26
0.436
NIM-NMI-8bb27a2b-17
0.436
LON-WEI-d1c9908a-1
0.436
LON-WEI-b8d98729-11
0.435
LON-WEI-adc59df6-13
0.435
RAL-MED-9a5eb9cb-14
0.434
NIM-NMI-8bb27a2b-18
0.434
NIM-NMI-8bb27a2b-23
0.434
LON-WEI-adc59df6-4
0.432
LON-WEI-adc59df6-43
0.432
LON-WEI-adc59df6-38
0.432