Molecular Properties | |
SMILES: | C#CCOc1ccc(N(C(=O)C=C)C(C(=O)NC(C)(C)C)c2cccnc2)cc1 |
MW: | 391.471 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 3.2686 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-408 |
Order Status | |
Shipped: | 2020-05-20 |
triple bond
Long aliphatic chain
triple_bond
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-8
0.675
LON-WEI-b8d98729-6
0.671
LON-WEI-adc59df6-80
0.659
LON-WEI-b8d98729-7
0.651
RAL-MED-9a5eb9cb-12
0.651
ERI-UCB-fbdd3ea1-4
0.651
LON-WEI-adc59df6-78
0.648
LON-WEI-b8d98729-10
0.647
LON-WEI-adc59df6-82
0.647
LON-WEI-adc59df6-91
0.640
LON-WEI-d1c9908a-1
0.635
LON-WEI-b8d98729-32
0.616
LON-WEI-adc59df6-95
0.614
LON-WEI-adc59df6-74
0.614
LON-WEI-adc59df6-103
0.607
LON-WEI-adc59df6-70
0.593
LON-WEI-adc59df6-83
0.591
LON-WEI-adc59df6-73
0.591
LON-WEI-adc59df6-79
0.578
LON-WEI-adc59df6-84
0.565
LON-WEI-adc59df6-65
0.564
JAN-GHE-d851b096-8
0.562
LON-WEI-8f408cad-9
0.560
LON-WEI-b8d98729-31
0.558
LON-WEI-adc59df6-3
0.553
LON-WEI-adc59df6-101
0.549
LON-WEI-adc59df6-85
0.543
LON-WEI-adc59df6-68
0.537
LON-WEI-adc59df6-104
0.531
LON-WEI-adc59df6-30
0.528
LON-WEI-adc59df6-81
0.528
LON-WEI-d1c9908a-7
0.526
RAL-MED-9a5eb9cb-10
0.523
LON-WEI-adc59df6-88
0.520
LON-WEI-adc59df6-21
0.517
LON-WEI-adc59df6-100
0.515
RIT-AID-af4ac3d4-1
0.515
LON-WEI-adc59df6-102
0.515
LON-WEI-b8d98729-23
0.511
LON-WEI-adc59df6-26
0.511
LON-WEI-adc59df6-35
0.511
LON-WEI-adc59df6-29
0.505
LON-WEI-adc59df6-14
0.505
LON-WEI-adc59df6-31
0.505
ERI-UCB-fbdd3ea1-17
0.505
BRU-LEF-973da26b-1
0.505
NIM-NMI-8bb27a2b-23
0.505
LON-WEI-b8d98729-47
0.505
LON-WEI-b8d98729-12
0.500
LON-WEI-b8d98729-27
0.500
LON-WEI-adc59df6-44
0.500
LON-WEI-adc59df6-27
0.500
ERI-UCB-fbdd3ea1-30
0.495
NIM-NMI-8bb27a2b-24
0.495
LON-WEI-adc59df6-17
0.495
LON-WEI-adc59df6-42
0.495
NIM-NMI-8bb27a2b-19
0.495
ERI-UCB-fbdd3ea1-11
0.495
LON-WEI-d1c9908a-5
0.490
LON-WEI-adc59df6-22
0.490
LON-WEI-adc59df6-28
0.490
ERI-UCB-fbdd3ea1-12
0.490
LON-WEI-adc59df6-72
0.489
LON-WEI-adc59df6-13
0.486
LON-WEI-adc59df6-45
0.485
LON-WEI-adc59df6-18
0.485
ERI-UCB-fbdd3ea1-31
0.485
LON-WEI-adc59df6-1
0.485
ERI-UCB-fbdd3ea1-16
0.485
LON-WEI-adc59df6-41
0.485
LON-WEI-adc59df6-8
0.485
LON-WEI-adc59df6-57
0.484
ERI-UCB-fbdd3ea1-13
0.484
ERI-UCB-fbdd3ea1-15
0.484
LON-WEI-adc59df6-58
0.484
LON-WEI-d1c9908a-3
0.480
LON-WEI-adc59df6-2
0.480
LON-WEI-adc59df6-36
0.480
LON-WEI-adc59df6-10
0.480
LON-WEI-adc59df6-40
0.480
RIT-AID-a497c99f-1
0.477
LON-WEI-adc59df6-12
0.475
LON-WEI-adc59df6-37
0.475
NIM-NMI-8bb27a2b-18
0.475
RAL-MED-9a5eb9cb-15
0.474
NIM-NMI-8bb27a2b-16
0.474
LON-WEI-adc59df6-7
0.471
LON-WEI-adc59df6-20
0.470
NIR-WEI-f9286bb6-2
0.468
LON-WEI-b8d98729-35
0.465
LON-WEI-adc59df6-23
0.465
NIM-NMI-8bb27a2b-17
0.463
LON-WEI-b8d98729-40
0.462
LON-WEI-adc59df6-25
0.462
LON-WEI-adc59df6-6
0.462
ERI-UCB-fbdd3ea1-14
0.462
LON-WEI-b8d98729-33
0.461
LON-WEI-d1c9908a-10
0.461
LON-WEI-d1c9908a-12
0.461
LON-WEI-adc59df6-9
0.461