Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1 |
MW: | 445.588 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 5.57332000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011579 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-10
0.779
LON-WEI-b8d98729-29
0.761
LON-WEI-b8d98729-39
0.761
ERI-UCB-fbdd3ea1-1
0.761
ERI-UCB-fbdd3ea1-2
0.761
LON-WEI-b8d98729-45
0.744
LON-WEI-d1c9908a-8
0.744
LON-WEI-b8d98729-18
0.703
LON-WEI-b8d98729-42
0.688
LON-WEI-b8d98729-48
0.634
LON-WEI-b8d98729-6
0.621
LON-WEI-b8d98729-24
0.620
LON-WEI-b8d98729-47
0.613
NIM-NMI-8bb27a2b-22
0.609
LON-WEI-b8d98729-40
0.608
LON-WEI-b8d98729-46
0.602
LON-WEI-b8d98729-20
0.590
ERI-UCB-fbdd3ea1-3
0.583
DAR-DIA-2b784ede-42
0.577
NIM-NMI-8bb27a2b-21
0.571
DAR-DIA-2b784ede-9
0.540
DAR-DIA-2b784ede-10
0.539
DAR-DIA-2b784ede-53
0.525
DAR-DIA-2b784ede-11
0.520
DAR-DIA-2b784ede-7
0.515
LON-WEI-adc59df6-30
0.505
DAR-DIA-2b784ede-15
0.495
DAR-DIA-2b784ede-16
0.495
DAR-DIA-2b784ede-48
0.495
LON-WEI-b8d98729-35
0.490
DAR-DIA-2b784ede-45
0.486
LON-WEI-b8d98729-36
0.486
LON-WEI-adc59df6-16
0.481
LON-WEI-d1c9908a-9
0.481
LON-WEI-adc59df6-46
0.480
RIT-AID-af4ac3d4-1
0.480
LON-WEI-adc59df6-41
0.480
LON-WEI-adc59df6-3
0.478
LON-WEI-d1c9908a-6
0.477
LON-WEI-adc59df6-78
0.475
JAN-GHE-d851b096-4
0.475
LON-WEI-adc59df6-42
0.475
LON-WEI-adc59df6-17
0.475
LON-WEI-adc59df6-80
0.474
DAR-DIA-2b784ede-46
0.473
LON-WEI-b8d98729-17
0.472
LON-WEI-adc59df6-24
0.472
LON-WEI-b8d98729-33
0.471
LON-WEI-adc59df6-9
0.471
LON-WEI-d1c9908a-12
0.471
NIM-NMI-8bb27a2b-6
0.471
BRU-LEF-973da26b-1
0.470
LON-WEI-adc59df6-31
0.469
DAR-DIA-2b784ede-14
0.469
DAR-DIA-2b784ede-18
0.468
RAL-MED-9a5eb9cb-10
0.468
LON-WEI-8f408cad-8
0.468
LON-WEI-d1c9908a-11
0.466
RAL-MED-9a5eb9cb-9
0.465
LON-WEI-adc59df6-44
0.464
LON-WEI-adc59df6-21
0.463
LON-WEI-d1c9908a-13
0.463
LON-WEI-d1c9908a-3
0.462
LON-WEI-adc59df6-5
0.462
LON-WEI-adc59df6-10
0.461
LON-WEI-d1c9908a-7
0.461
LON-WEI-adc59df6-95
0.460
LON-WEI-adc59df6-15
0.457
LON-WEI-adc59df6-12
0.457
LON-WEI-adc59df6-33
0.457
NIM-NMI-8bb27a2b-18
0.456
NIM-NMI-8bb27a2b-16
0.455
LON-WEI-adc59df6-82
0.455
LON-WEI-adc59df6-73
0.455
LON-WEI-b8d98729-16
0.455
LON-WEI-adc59df6-14
0.455
LON-WEI-adc59df6-29
0.455
DAR-DIA-2b784ede-8
0.454
LON-WEI-b8d98729-8
0.454
LON-WEI-b8d98729-28
0.454
LON-WEI-b8d98729-37
0.454
LON-WEI-b8d98729-7
0.454
ERI-UCB-fbdd3ea1-4
0.454
RAL-MED-9a5eb9cb-12
0.454
DAR-DIA-2b784ede-38
0.453
LON-WEI-b8d98729-12
0.452
LON-WEI-b8d98729-27
0.452
LON-WEI-adc59df6-18
0.452
BRU-LEF-8bac3ce8-1
0.451
DAR-DIA-2b784ede-12
0.450
LON-WEI-adc59df6-91
0.450
LON-WEI-b8d98729-22
0.448
LON-WEI-adc59df6-2
0.448
LON-WEI-b8d98729-19
0.448
LON-WEI-d1c9908a-2
0.448
LON-WEI-b8d98729-41
0.447
LON-WEI-adc59df6-26
0.446
LON-WEI-adc59df6-35
0.446
NIM-NMI-8bb27a2b-19
0.446
NIM-NMI-8bb27a2b-24
0.446