Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)/C=C/c1ccccc1)c1cc(C(C)(C)C)on1 |
MW: | 460.25 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 5.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
vinyl michael acceptor1
phenylethene
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-23
0.702
ERI-UCB-fbdd3ea1-33
0.640
ERI-UCB-fbdd3ea1-34
0.559
ERI-UCB-fbdd3ea1-24
0.551
NIM-NMI-8bb27a2b-10
0.540
NIM-NMI-8bb27a2b-3
0.537
ERI-UCB-fbdd3ea1-9
0.536
NIM-NMI-8bb27a2b-4
0.536
NIM-NMI-8bb27a2b-12
0.535
NIM-NMI-8bb27a2b-2
0.531
ERI-UCB-fbdd3ea1-6
0.525
NIM-NMI-8bb27a2b-11
0.520
ERI-UCB-fbdd3ea1-7
0.520
NIM-NMI-8bb27a2b-5
0.520
NIM-NMI-8bb27a2b-6
0.515
ERI-UCB-fbdd3ea1-30
0.505
LON-WEI-babf2c61-10
0.505
NIM-NMI-8bb27a2b-1
0.500
ERI-UCB-fbdd3ea1-5
0.500
ERI-UCB-fbdd3ea1-8
0.500
ERI-UCB-fbdd3ea1-10
0.500
ERI-UCB-fbdd3ea1-26
0.500
NIM-NMI-8bb27a2b-7
0.495
ERI-UCB-fbdd3ea1-31
0.495
NIM-NMI-8bb27a2b-9
0.486
NIM-NMI-8bb27a2b-13
0.486
NIM-NMI-8bb27a2b-14
0.481
LON-WEI-b8d98729-46
0.481
ERI-UCB-fbdd3ea1-28
0.477
LON-WEI-b8d98729-43
0.477
LON-WEI-b8d98729-15
0.472
NIM-NMI-8bb27a2b-8
0.472
ERI-UCB-fbdd3ea1-25
0.449
LON-WEI-adc59df6-81
0.443
ERI-UCB-fbdd3ea1-29
0.440
LON-WEI-8f408cad-8
0.438
ERI-UCB-fbdd3ea1-15
0.436
LON-WEI-adc59df6-101
0.436
ERI-UCB-fbdd3ea1-13
0.436
ERI-UCB-fbdd3ea1-11
0.430
LON-WEI-d1c9908a-1
0.430
LON-WEI-adc59df6-73
0.426
LON-WEI-adc59df6-70
0.424
ALP-POS-95f71980-16
0.422
ERI-UCB-fbdd3ea1-14
0.418
LON-WEI-8f408cad-9
0.417
ERI-UCB-fbdd3ea1-27
0.417
JAN-GHE-d851b096-8
0.416
LON-WEI-adc59df6-80
0.414
ERI-UCB-fbdd3ea1-17
0.413
ERI-UCB-fbdd3ea1-12
0.413
JAN-GHE-d851b096-7
0.413
LON-WEI-adc59df6-82
0.412
RAL-MED-9a5eb9cb-12
0.410
ERI-UCB-fbdd3ea1-4
0.410
LON-WEI-b8d98729-6
0.410
LON-WEI-b8d98729-7
0.410
ERI-UCB-fbdd3ea1-16
0.410
LON-WEI-adc59df6-74
0.404
LON-WEI-adc59df6-95
0.404
LON-WEI-adc59df6-79
0.404
LON-WEI-b8d98729-32
0.402
LON-WEI-adc59df6-71
0.400
LON-WEI-adc59df6-103
0.400
LON-WEI-adc59df6-62
0.400
LON-WEI-adc59df6-63
0.400
ALP-POS-c59291d4-6
0.398
LON-WEI-b8d98729-10
0.398
LON-WEI-adc59df6-84
0.396
DAR-DIA-2b784ede-31
0.396
LON-WEI-b8d98729-31
0.394
LON-WEI-adc59df6-91
0.394
LON-WEI-adc59df6-78
0.393
ALP-POS-88a7a97e-18
0.390
LON-WEI-adc59df6-77
0.389
LON-WEI-adc59df6-68
0.389
LON-WEI-adc59df6-87
0.389
LON-WEI-babf2c61-13
0.386
LON-WEI-adc59df6-100
0.385
LON-WEI-adc59df6-104
0.385
LON-WEI-adc59df6-65
0.385
LON-WEI-babf2c61-12
0.383
LON-WEI-adc59df6-83
0.382
LON-WEI-adc59df6-88
0.381
LON-WEI-adc59df6-85
0.380
LON-WEI-adc59df6-102
0.377
LON-WEI-babf2c61-11
0.376
LON-WEI-adc59df6-99
0.371
NIR-WEI-f9286bb6-2
0.365
DAR-DIA-2b784ede-35
0.365
LON-WEI-babf2c61-14
0.364
LON-WEI-adc59df6-96
0.362
LON-WEI-adc59df6-93
0.362
LON-WEI-adc59df6-98
0.360
LON-WEI-adc59df6-3
0.360
LON-WEI-adc59df6-97
0.358
LON-WEI-adc59df6-72
0.356
ERI-UCB-fbdd3ea1-19
0.356
LON-WEI-adc59df6-66
0.354
LON-WEI-adc59df6-86
0.352