Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCN1CCN(C)CC1)c1cccnc1 |
MW: | 454.27 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 94.81 |
cLogP: | 1.99 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-9
0.730
NIM-NMI-8bb27a2b-4
0.730
NIM-NMI-8bb27a2b-2
0.703
NIM-NMI-8bb27a2b-11
0.674
NIM-NMI-8bb27a2b-12
0.670
ERI-UCB-fbdd3ea1-8
0.660
NIM-NMI-8bb27a2b-5
0.653
LON-WEI-babf2c61-10
0.646
LON-WEI-b8d98729-23
0.644
NIM-NMI-8bb27a2b-3
0.641
NIM-NMI-8bb27a2b-10
0.639
NIM-NMI-8bb27a2b-13
0.626
ERI-UCB-fbdd3ea1-7
0.621
NIM-NMI-8bb27a2b-14
0.618
NIM-NMI-8bb27a2b-1
0.612
ERI-UCB-fbdd3ea1-5
0.612
ERI-UCB-fbdd3ea1-6
0.608
NIM-NMI-8bb27a2b-6
0.598
LON-WEI-b8d98729-46
0.573
LON-WEI-adc59df6-22
0.564
LON-WEI-b8d98729-15
0.562
NIM-NMI-8bb27a2b-7
0.558
LON-WEI-b8d98729-43
0.552
ERI-UCB-fbdd3ea1-28
0.551
LON-WEI-adc59df6-25
0.548
NIM-NMI-8bb27a2b-9
0.547
NIM-NMI-8bb27a2b-8
0.547
JAN-GHE-d851b096-7
0.514
ERI-UCB-fbdd3ea1-32
0.500
ERI-UCB-fbdd3ea1-31
0.500
LON-WEI-babf2c61-12
0.491
LON-WEI-babf2c61-13
0.482
ERI-UCB-fbdd3ea1-30
0.481
ERI-UCB-fbdd3ea1-33
0.475
DAR-DIA-2b784ede-31
0.475
ERI-UCB-fbdd3ea1-26
0.474
ERI-UCB-fbdd3ea1-24
0.474
LON-WEI-babf2c61-11
0.469
ALP-POS-95f71980-16
0.466
ALP-POS-02c6a514-55
0.464
ALP-POS-88a7a97e-11
0.455
LON-WEI-babf2c61-14
0.453
LON-WEI-adc59df6-29
0.447
ALP-POS-88a7a97e-47
0.443
ERI-UCB-fbdd3ea1-34
0.439
DAR-DIA-2b784ede-35
0.434
ERI-UCB-fbdd3ea1-25
0.427
LON-WEI-adc59df6-17
0.425
LON-WEI-adc59df6-26
0.425
LON-WEI-adc59df6-30
0.422
ERI-UCB-fbdd3ea1-12
0.421
ERI-UCB-fbdd3ea1-29
0.419
LON-WEI-adc59df6-27
0.417
LON-WEI-adc59df6-47
0.416
PAU-WEI-5b8d5051-1
0.416
LON-POS-586a7c45-1
0.416
LON-WEI-adc59df6-2
0.414
LON-WEI-adc59df6-10
0.413
NIM-NMI-8bb27a2b-24
0.411
ERI-UCB-fbdd3ea1-11
0.410
DAR-DIA-2b784ede-32
0.407
LON-WEI-adc59df6-7
0.407
LON-WEI-adc59df6-31
0.406
DAR-DIA-2b784ede-33
0.406
LON-WEI-adc59df6-32
0.404
ERI-UCB-fbdd3ea1-13
0.402
LON-WEI-adc59df6-44
0.400
LON-WEI-adc59df6-95
0.398
LON-WEI-adc59df6-21
0.398
LON-WEI-adc59df6-3
0.396
NIM-NMI-8bb27a2b-16
0.394
LON-WEI-adc59df6-28
0.394
LON-WEI-adc59df6-81
0.394
LON-WEI-adc59df6-73
0.393
LON-WEI-adc59df6-19
0.391
LON-WEI-adc59df6-70
0.390
ERI-UCB-fbdd3ea1-15
0.389
LON-WEI-8f408cad-8
0.388
LON-WEI-babf2c61-9
0.388
LON-WEI-adc59df6-40
0.387
LON-WEI-adc59df6-36
0.387
ERI-UCB-fbdd3ea1-27
0.386
LON-WEI-adc59df6-102
0.385
NIM-NMI-8bb27a2b-18
0.384
ERI-UCB-fbdd3ea1-17
0.382
LON-WEI-adc59df6-80
0.381
LON-WEI-adc59df6-46
0.381
LON-WEI-adc59df6-104
0.381
LON-WEI-adc59df6-20
0.381
DAR-DIA-2b784ede-45
0.380
LON-WEI-adc59df6-14
0.380
LON-WEI-adc59df6-8
0.378
ERI-UCB-fbdd3ea1-16
0.378
LON-WEI-b8d98729-7
0.377
LON-WEI-adc59df6-23
0.377
DAR-DIA-2b784ede-36
0.377
LON-WEI-adc59df6-101
0.376
ERI-UCB-fbdd3ea1-14
0.376
DAR-DIA-2b784ede-34
0.375
DAR-DIA-2b784ede-48
0.375