Molecular Properties | |
SMILES: | CC(=O)C(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 400.21 |
Fraction sp3: | 0.48 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 105.4 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
diketo group
α-Diketones
Ketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Long aliphatic chain
Oxalyl
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-23
0.711
ERI-UCB-fbdd3ea1-34
0.678
ERI-UCB-fbdd3ea1-32
0.640
NIM-NMI-8bb27a2b-3
0.547
ERI-UCB-fbdd3ea1-6
0.533
NIM-NMI-8bb27a2b-11
0.528
ERI-UCB-fbdd3ea1-7
0.528
ERI-UCB-fbdd3ea1-9
0.528
NIM-NMI-8bb27a2b-4
0.528
ERI-UCB-fbdd3ea1-24
0.524
NIM-NMI-8bb27a2b-6
0.522
NIM-NMI-8bb27a2b-2
0.522
NIM-NMI-8bb27a2b-10
0.516
ERI-UCB-fbdd3ea1-30
0.511
NIM-NMI-8bb27a2b-5
0.511
NIM-NMI-8bb27a2b-12
0.511
ERI-UCB-fbdd3ea1-26
0.506
NIM-NMI-8bb27a2b-1
0.505
ERI-UCB-fbdd3ea1-5
0.505
ERI-UCB-fbdd3ea1-31
0.500
NIM-NMI-8bb27a2b-8
0.490
NIM-NMI-8bb27a2b-13
0.490
ERI-UCB-fbdd3ea1-8
0.490
LON-WEI-b8d98729-46
0.485
NIM-NMI-8bb27a2b-7
0.485
ERI-UCB-fbdd3ea1-28
0.480
LON-WEI-babf2c61-10
0.480
LON-WEI-b8d98729-43
0.480
LON-WEI-adc59df6-81
0.477
LON-WEI-b8d98729-15
0.475
NIM-NMI-8bb27a2b-9
0.475
ERI-UCB-fbdd3ea1-10
0.475
LON-WEI-8f408cad-8
0.471
NIM-NMI-8bb27a2b-14
0.470
ERI-UCB-fbdd3ea1-13
0.467
ERI-UCB-fbdd3ea1-11
0.461
LON-WEI-adc59df6-73
0.456
ALP-POS-c59291d4-6
0.456
ERI-UCB-fbdd3ea1-29
0.456
ERI-UCB-fbdd3ea1-15
0.451
LON-WEI-adc59df6-101
0.451
ALP-POS-95f71980-16
0.448
LON-WEI-8f408cad-9
0.446
ALP-POS-88a7a97e-18
0.446
JAN-GHE-d851b096-8
0.444
LON-WEI-adc59df6-80
0.443
ERI-UCB-fbdd3ea1-12
0.441
RAL-MED-9a5eb9cb-12
0.438
ERI-UCB-fbdd3ea1-4
0.438
LON-WEI-adc59df6-70
0.438
LON-WEI-b8d98729-6
0.438
LON-WEI-b8d98729-7
0.438
ERI-UCB-fbdd3ea1-25
0.433
LON-WEI-adc59df6-74
0.430
LON-WEI-adc59df6-95
0.430
LON-WEI-adc59df6-79
0.430
LON-WEI-b8d98729-32
0.429
LON-WEI-d1c9908a-1
0.429
ERI-UCB-fbdd3ea1-17
0.426
LON-WEI-adc59df6-103
0.426
LON-WEI-adc59df6-82
0.424
LON-WEI-b8d98729-10
0.424
ERI-UCB-fbdd3ea1-16
0.421
LON-WEI-adc59df6-84
0.421
LON-WEI-adc59df6-91
0.419
LON-WEI-adc59df6-83
0.418
LON-WEI-adc59df6-78
0.417
ERI-UCB-fbdd3ea1-14
0.416
LON-WEI-adc59df6-88
0.416
LON-WEI-adc59df6-68
0.412
LON-WEI-adc59df6-87
0.412
JAN-GHE-d851b096-7
0.410
LON-WEI-adc59df6-99
0.409
LON-WEI-adc59df6-100
0.408
LON-WEI-adc59df6-104
0.408
LON-WEI-adc59df6-65
0.408
LON-WEI-b8d98729-31
0.404
LON-WEI-adc59df6-85
0.402
ERI-UCB-fbdd3ea1-27
0.400
LON-WEI-adc59df6-77
0.398
LON-WEI-adc59df6-96
0.398
LON-WEI-adc59df6-93
0.398
DAR-DIA-2b784ede-31
0.391
NIR-WEI-f9286bb6-2
0.387
LON-WEI-adc59df6-102
0.385
LON-WEI-adc59df6-76
0.384
LON-WEI-adc59df6-89
0.378
LON-WEI-adc59df6-72
0.376
ERI-UCB-fbdd3ea1-19
0.376
LON-WEI-adc59df6-66
0.373
LON-WEI-adc59df6-86
0.371
ERI-UCB-fbdd3ea1-18
0.368
LON-WEI-adc59df6-71
0.367
LON-WEI-adc59df6-62
0.367
LON-WEI-adc59df6-63
0.367
LON-WEI-adc59df6-3
0.367
LON-WEI-adc59df6-69
0.365
LON-WEI-adc59df6-75
0.365
LON-WEI-adc59df6-97
0.365
ERI-UCB-fbdd3ea1-22
0.365