Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1 |
MW: | 457.574 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 71.53 |
cLogP: | 5.55882000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1101288113 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-10
0.753
LON-WEI-b8d98729-2
0.744
ERI-UCB-fbdd3ea1-2
0.736
LON-WEI-b8d98729-29
0.736
ERI-UCB-fbdd3ea1-1
0.736
LON-WEI-b8d98729-39
0.736
LON-WEI-d1c9908a-8
0.720
LON-WEI-b8d98729-18
0.699
LON-WEI-b8d98729-42
0.667
LON-WEI-b8d98729-17
0.653
LON-WEI-b8d98729-10
0.633
LON-WEI-b8d98729-8
0.633
LON-WEI-b8d98729-19
0.632
LON-WEI-b8d98729-22
0.632
LON-WEI-b8d98729-48
0.615
NIM-NMI-8bb27a2b-22
0.589
LON-WEI-b8d98729-46
0.584
LON-WEI-b8d98729-20
0.573
ERI-UCB-fbdd3ea1-3
0.566
NIM-NMI-8bb27a2b-21
0.554
DAR-DIA-2b784ede-42
0.546
DAR-DIA-2b784ede-53
0.524
DAR-DIA-2b784ede-9
0.524
DAR-DIA-2b784ede-10
0.509
DAR-DIA-2b784ede-7
0.500
DAR-DIA-2b784ede-11
0.491
LON-WEI-adc59df6-80
0.490
BRU-LEF-973da26b-1
0.485
DAR-DIA-2b784ede-16
0.482
DAR-DIA-2b784ede-48
0.482
LON-WEI-adc59df6-7
0.481
RIT-AID-af4ac3d4-1
0.481
LON-WEI-d1c9908a-3
0.477
LON-WEI-d1c9908a-7
0.476
LON-WEI-adc59df6-30
0.474
DAR-DIA-2b784ede-45
0.473
LON-WEI-b8d98729-36
0.473
LON-WEI-adc59df6-24
0.472
LON-WEI-b8d98729-40
0.472
LON-WEI-adc59df6-9
0.472
LON-WEI-adc59df6-12
0.472
LON-WEI-b8d98729-47
0.471
LON-WEI-adc59df6-31
0.470
DAR-DIA-2b784ede-15
0.470
LON-WEI-b8d98729-28
0.468
LON-WEI-b8d98729-37
0.468
LON-WEI-d1c9908a-9
0.467
LON-WEI-adc59df6-18
0.467
LON-WEI-b8d98729-12
0.467
LON-WEI-b8d98729-27
0.467
LON-WEI-adc59df6-21
0.464
LON-WEI-d1c9908a-6
0.464
LON-WEI-adc59df6-3
0.463
LON-WEI-adc59df6-2
0.462
LON-WEI-b8d98729-35
0.462
JAN-GHE-d851b096-4
0.462
DAR-DIA-2b784ede-46
0.461
LON-WEI-adc59df6-42
0.461
NIM-NMI-8bb27a2b-19
0.461
LON-WEI-adc59df6-26
0.461
LON-WEI-d1c9908a-4
0.459
LON-WEI-d1c9908a-12
0.458
LON-WEI-adc59df6-37
0.458
LON-WEI-d1c9908a-5
0.458
LON-WEI-b8d98729-33
0.458
NIM-NMI-8bb27a2b-6
0.457
NIM-NMI-8bb27a2b-18
0.457
DAR-DIA-2b784ede-18
0.456
LON-WEI-adc59df6-16
0.454
LON-WEI-8f408cad-8
0.454
RAL-MED-9a5eb9cb-10
0.454
LON-WEI-adc59df6-46
0.453
LON-WEI-adc59df6-27
0.452
LON-WEI-adc59df6-41
0.452
RAL-MED-9a5eb9cb-9
0.451
LON-WEI-d1c9908a-13
0.450
LON-WEI-b8d98729-26
0.450
LON-WEI-adc59df6-44
0.450
LON-WEI-adc59df6-5
0.449
LON-WEI-b8d98729-24
0.448
LON-WEI-adc59df6-95
0.447
NIM-NMI-8bb27a2b-24
0.447
NIM-NMI-8bb27a2b-25
0.444
LON-WEI-adc59df6-15
0.444
DAR-DIA-2b784ede-14
0.444
DAR-DIA-2b784ede-51
0.442
LON-WEI-b8d98729-16
0.442
NIM-NMI-8bb27a2b-16
0.442
LON-WEI-adc59df6-28
0.442
DAR-DIA-2b784ede-8
0.441
LON-WEI-adc59df6-45
0.441
LON-WEI-adc59df6-29
0.441
LON-WEI-adc59df6-73
0.441
LON-WEI-adc59df6-14
0.441
DAR-DIA-2b784ede-38
0.440
RAL-MED-9a5eb9cb-12
0.440
ERI-UCB-fbdd3ea1-4
0.440
LON-WEI-b8d98729-6
0.440
LON-WEI-b8d98729-7
0.440
LON-WEI-d1c9908a-11
0.439