Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cnccn1 |
MW: | 394.519 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 3.9491 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-8
0.605
LON-WEI-adc59df6-49
0.600
LON-WEI-adc59df6-61
0.597
RIT-AID-a497c99f-1
0.595
LON-WEI-adc59df6-50
0.590
LON-WEI-adc59df6-51
0.582
LON-WEI-adc59df6-60
0.562
LON-WEI-adc59df6-58
0.556
LON-WEI-adc59df6-57
0.554
LON-WEI-adc59df6-53
0.550
LON-WEI-adc59df6-54
0.550
LON-WEI-adc59df6-56
0.550
LON-WEI-adc59df6-55
0.537
LON-WEI-adc59df6-59
0.524
RAL-MED-9a5eb9cb-12
0.506
ERI-UCB-fbdd3ea1-4
0.506
LON-WEI-adc59df6-3
0.500
LON-WEI-adc59df6-91
0.500
LON-WEI-adc59df6-52
0.500
LON-WEI-adc59df6-82
0.488
LON-WEI-adc59df6-21
0.482
LON-WEI-adc59df6-30
0.476
LON-WEI-adc59df6-14
0.471
LON-WEI-adc59df6-44
0.465
LON-WEI-adc59df6-35
0.461
LON-WEI-adc59df6-80
0.459
LON-WEI-adc59df6-28
0.456
LON-WEI-adc59df6-29
0.455
LON-WEI-adc59df6-31
0.455
LON-WEI-b8d98729-7
0.453
LON-WEI-b8d98729-6
0.453
DAR-DIA-2b784ede-37
0.453
DAR-DIA-2b784ede-40
0.453
LON-WEI-adc59df6-8
0.451
LON-WEI-adc59df6-27
0.451
LON-WEI-adc59df6-36
0.446
LON-WEI-adc59df6-40
0.446
LON-WEI-adc59df6-42
0.444
LON-WEI-adc59df6-17
0.444
LON-WEI-adc59df6-26
0.444
LON-WEI-b8d98729-32
0.443
LON-WEI-d1c9908a-1
0.443
LON-WEI-b8d98729-10
0.438
LON-WEI-adc59df6-46
0.436
LON-WEI-adc59df6-20
0.436
LON-WEI-adc59df6-41
0.435
LON-WEI-adc59df6-23
0.432
LON-WEI-adc59df6-10
0.430
LON-WEI-adc59df6-78
0.430
LON-WEI-d1c9908a-7
0.430
DAR-DIA-2b784ede-41
0.430
LON-WEI-adc59df6-95
0.429
LON-WEI-adc59df6-6
0.429
LON-WEI-adc59df6-9
0.427
LON-WEI-adc59df6-37
0.427
LON-WEI-adc59df6-87
0.426
LON-WEI-adc59df6-39
0.426
LON-WEI-adc59df6-81
0.425
LON-WEI-d1c9908a-9
0.423
DAR-DIA-2b784ede-38
0.423
ALP-POS-c59291d4-6
0.422
ALP-POS-d0876c20-21
0.422
LON-WEI-adc59df6-1
0.421
LON-WEI-adc59df6-18
0.421
LON-WEI-adc59df6-70
0.420
LON-POS-586a7c45-1
0.418
LON-WEI-adc59df6-47
0.418
PAU-WEI-5b8d5051-1
0.418
DAR-DIA-2b784ede-39
0.418
LON-WEI-adc59df6-2
0.417
LON-WEI-adc59df6-5
0.417
LON-WEI-adc59df6-83
0.417
LON-WEI-adc59df6-25
0.414
LON-WEI-adc59df6-24
0.414
LON-WEI-adc59df6-12
0.412
LON-WEI-adc59df6-15
0.412
LON-WEI-adc59df6-22
0.412
LON-WEI-adc59df6-33
0.412
LON-WEI-d1c9908a-10
0.412
LON-WEI-adc59df6-34
0.412
LON-WEI-adc59df6-4
0.410
LON-WEI-adc59df6-43
0.410
LON-WEI-adc59df6-16
0.408
LON-WEI-adc59df6-7
0.408
LON-WEI-adc59df6-73
0.407
LON-WEI-adc59df6-32
0.404
LON-WEI-adc59df6-19
0.404
LON-WEI-d1c9908a-3
0.404
RAL-MED-9a5eb9cb-10
0.402
LON-WEI-adc59df6-13
0.400
ERI-UCB-fbdd3ea1-25
0.400
LON-WEI-adc59df6-38
0.398
LON-WEI-8f408cad-9
0.398
LON-WEI-adc59df6-79
0.398
ALP-POS-88a7a97e-18
0.398
LON-WEI-adc59df6-45
0.396
NIM-NMI-8bb27a2b-23
0.396
JAN-GHE-d851b096-8
0.396
LON-WEI-babf2c61-2
0.390
LON-WEI-adc59df6-84
0.389