Molecular Properties | |
SMILES: | C=CC(=O)N(CCC1COC(C)(C)C1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 387.524 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 3.2572 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
NIR-WEI-f9286bb6-2
0.533
LON-WEI-adc59df6-89
0.500
LON-WEI-adc59df6-93
0.495
LON-WEI-adc59df6-99
0.489
LON-WEI-d1c9908a-1
0.479
LON-WEI-adc59df6-69
0.474
LON-WEI-adc59df6-75
0.474
LON-WEI-8f408cad-8
0.473
ERI-UCB-fbdd3ea1-31
0.470
ERI-UCB-fbdd3ea1-23
0.470
ERI-UCB-fbdd3ea1-20
0.469
ERI-UCB-fbdd3ea1-30
0.465
LON-WEI-adc59df6-96
0.463
LON-WEI-adc59df6-81
0.462
ERI-UCB-fbdd3ea1-22
0.458
LON-WEI-adc59df6-73
0.458
ERI-UCB-fbdd3ea1-19
0.457
LON-WEI-adc59df6-72
0.457
ERI-UCB-fbdd3ea1-21
0.454
LON-WEI-adc59df6-83
0.451
LON-WEI-adc59df6-85
0.450
LON-WEI-adc59df6-95
0.449
LON-WEI-b8d98729-23
0.448
LON-WEI-b8d98729-32
0.448
ERI-UCB-fbdd3ea1-18
0.448
LON-WEI-adc59df6-80
0.447
LON-WEI-adc59df6-92
0.446
LON-WEI-adc59df6-94
0.444
LON-WEI-b8d98729-10
0.443
LON-WEI-adc59df6-97
0.443
LON-WEI-b8d98729-6
0.442
LON-WEI-b8d98729-7
0.442
RAL-MED-9a5eb9cb-12
0.442
ERI-UCB-fbdd3ea1-4
0.442
LON-WEI-adc59df6-70
0.442
LON-WEI-adc59df6-67
0.440
LON-WEI-adc59df6-91
0.439
LON-WEI-adc59df6-86
0.434
LON-WEI-8f408cad-9
0.434
LON-WEI-adc59df6-79
0.434
LON-WEI-adc59df6-74
0.434
ERI-UCB-fbdd3ea1-11
0.433
JAN-GHE-d851b096-8
0.433
ERI-UCB-fbdd3ea1-12
0.430
LON-WEI-adc59df6-71
0.430
LON-WEI-adc59df6-62
0.430
LON-WEI-adc59df6-63
0.430
LON-WEI-adc59df6-82
0.429
LON-WEI-adc59df6-65
0.427
ERI-UCB-fbdd3ea1-16
0.426
LON-WEI-adc59df6-84
0.426
ERI-UCB-fbdd3ea1-13
0.424
ERI-UCB-fbdd3ea1-15
0.424
LON-WEI-adc59df6-101
0.424
LON-WEI-adc59df6-78
0.422
LON-WEI-adc59df6-64
0.422
NIR-WEI-f9286bb6-3
0.421
LON-WEI-adc59df6-90
0.421
LON-WEI-adc59df6-68
0.417
LON-WEI-adc59df6-87
0.417
ERI-UCB-fbdd3ea1-17
0.416
LON-WEI-adc59df6-103
0.416
LON-WEI-adc59df6-98
0.413
LON-WEI-adc59df6-100
0.413
LON-WEI-adc59df6-88
0.407
LON-WEI-adc59df6-66
0.406
LON-WEI-adc59df6-1
0.400
LON-WEI-adc59df6-104
0.400
LON-WEI-adc59df6-19
0.398
LON-WEI-b8d98729-31
0.396
ERI-UCB-fbdd3ea1-14
0.394
LON-WEI-adc59df6-44
0.394
LON-WEI-adc59df6-77
0.391
LON-WEI-adc59df6-102
0.391
LON-WEI-adc59df6-3
0.389
LON-WEI-adc59df6-30
0.388
LON-WEI-adc59df6-14
0.386
LON-WEI-adc59df6-29
0.386
ERI-UCB-fbdd3ea1-33
0.384
LON-WEI-adc59df6-26
0.379
LON-WEI-adc59df6-35
0.379
NIM-NMI-8bb27a2b-3
0.379
LON-WEI-adc59df6-21
0.378
LON-WEI-adc59df6-39
0.377
LON-WEI-adc59df6-18
0.374
RAL-MED-9a5eb9cb-14
0.374
LON-WEI-adc59df6-32
0.373
ALP-POS-c59291d4-6
0.373
LON-WEI-adc59df6-31
0.373
LON-WEI-adc59df6-27
0.371
LON-WEI-adc59df6-8
0.371
ERI-UCB-fbdd3ea1-9
0.368
LON-WEI-d1c9908a-7
0.368
ERI-UCB-fbdd3ea1-7
0.368
LON-WEI-adc59df6-36
0.368
NIM-NMI-8bb27a2b-11
0.368
LON-WEI-adc59df6-33
0.367
LON-WEI-adc59df6-9
0.367
LON-WEI-adc59df6-45
0.366
ALP-POS-88a7a97e-18
0.365