Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)nn1Cc1ccccc1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 473.28 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.12 |
cLogP: | 4.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-12
0.733
ERI-UCB-fbdd3ea1-11
0.648
ERI-UCB-fbdd3ea1-13
0.633
LON-WEI-adc59df6-81
0.511
JAN-GHE-d851b096-8
0.510
LON-WEI-8f408cad-8
0.505
LON-WEI-adc59df6-73
0.505
LON-WEI-b8d98729-23
0.495
LON-WEI-b8d98729-6
0.490
ERI-UCB-fbdd3ea1-16
0.485
LON-WEI-adc59df6-101
0.485
LON-WEI-adc59df6-78
0.480
LON-WEI-adc59df6-74
0.480
LON-WEI-adc59df6-80
0.479
LON-WEI-b8d98729-7
0.474
RAL-MED-9a5eb9cb-12
0.474
ERI-UCB-fbdd3ea1-4
0.474
LON-WEI-adc59df6-70
0.474
LON-WEI-adc59df6-65
0.471
LON-WEI-adc59df6-91
0.470
ERI-UCB-fbdd3ea1-15
0.470
NIR-WEI-f9286bb6-2
0.469
LON-WEI-adc59df6-85
0.466
LON-WEI-8f408cad-9
0.465
LON-WEI-adc59df6-79
0.465
LON-WEI-adc59df6-95
0.465
LON-WEI-b8d98729-32
0.465
LON-WEI-d1c9908a-1
0.465
LON-WEI-adc59df6-87
0.462
ERI-UCB-fbdd3ea1-17
0.461
LON-WEI-adc59df6-103
0.461
LON-WEI-b8d98729-10
0.460
LON-WEI-adc59df6-82
0.460
LON-WEI-adc59df6-104
0.457
ERI-UCB-fbdd3ea1-31
0.457
LON-WEI-adc59df6-84
0.456
ERI-UCB-fbdd3ea1-30
0.452
LON-WEI-adc59df6-40
0.452
LON-WEI-adc59df6-68
0.448
LON-WEI-adc59df6-77
0.445
NIM-NMI-8bb27a2b-10
0.444
LON-WEI-adc59df6-100
0.443
LON-WEI-b8d98729-31
0.439
LON-WEI-adc59df6-88
0.436
ERI-UCB-fbdd3ea1-19
0.430
LON-WEI-adc59df6-72
0.430
LON-WEI-adc59df6-83
0.426
LON-WEI-b8d98729-20
0.425
ERI-UCB-fbdd3ea1-34
0.425
LON-WEI-adc59df6-102
0.420
LON-WEI-adc59df6-62
0.419
LON-WEI-adc59df6-63
0.419
LON-WEI-adc59df6-71
0.419
ERI-UCB-fbdd3ea1-32
0.418
LON-WEI-adc59df6-29
0.417
LON-WEI-adc59df6-75
0.417
ALP-POS-c59291d4-6
0.417
ERI-UCB-fbdd3ea1-33
0.416
ERI-UCB-fbdd3ea1-9
0.411
LON-WEI-adc59df6-13
0.410
LON-WEI-adc59df6-17
0.410
LON-WEI-adc59df6-38
0.408
LON-WEI-adc59df6-3
0.408
ERI-UCB-fbdd3ea1-18
0.408
NIM-NMI-8bb27a2b-20
0.407
LON-WEI-adc59df6-30
0.406
LON-WEI-adc59df6-28
0.406
LON-WEI-b8d98729-21
0.405
LON-WEI-adc59df6-69
0.404
ERI-UCB-fbdd3ea1-22
0.404
LON-WEI-adc59df6-31
0.404
LON-WEI-adc59df6-97
0.404
DAR-DIA-2b784ede-52
0.404
ERI-UCB-fbdd3ea1-20
0.402
PAU-WEI-5b8d5051-1
0.402
LON-WEI-adc59df6-47
0.402
LON-POS-586a7c45-1
0.402
ERI-UCB-fbdd3ea1-21
0.400
LON-WEI-b8d98729-15
0.400
NIM-NMI-8bb27a2b-4
0.398
LON-WEI-adc59df6-10
0.398
NIM-NMI-8bb27a2b-14
0.397
DAR-DIA-2b784ede-48
0.397
DAR-DIA-2b784ede-50
0.397
LON-WEI-adc59df6-22
0.396
LON-WEI-adc59df6-66
0.396
LON-WEI-d1c9908a-10
0.396
LON-WEI-adc59df6-26
0.396
LON-WEI-adc59df6-86
0.396
LON-WEI-adc59df6-42
0.396
LON-WEI-adc59df6-21
0.396
LON-WEI-b8d98729-46
0.395
LON-WEI-adc59df6-76
0.394
NIM-NMI-8bb27a2b-2
0.394
LON-WEI-adc59df6-93
0.394
LON-WEI-adc59df6-96
0.394
ALP-POS-95f71980-8
0.392
LON-WEI-babf2c61-10
0.391
LON-WEI-adc59df6-20
0.391
LON-WEI-adc59df6-98
0.391