Molecular Properties | |
SMILES: | C=CC(=O)N(C1CCCc2cc(O)ccc21)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 407.514 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 82.53 |
cLogP: | 3.8352 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-96
0.559
LON-WEI-adc59df6-93
0.559
ERI-UCB-fbdd3ea1-19
0.521
LON-WEI-adc59df6-75
0.521
ERI-UCB-fbdd3ea1-22
0.521
ERI-UCB-fbdd3ea1-18
0.510
LON-WEI-adc59df6-86
0.510
LON-WEI-adc59df6-64
0.510
LON-WEI-adc59df6-69
0.505
LON-WEI-adc59df6-94
0.505
LON-WEI-adc59df6-92
0.505
LON-WEI-adc59df6-67
0.500
ERI-UCB-fbdd3ea1-21
0.500
LON-WEI-adc59df6-62
0.490
LON-WEI-adc59df6-63
0.490
LON-WEI-adc59df6-71
0.490
LON-WEI-adc59df6-97
0.490
LON-WEI-adc59df6-99
0.490
ERI-UCB-fbdd3ea1-23
0.485
LON-WEI-adc59df6-89
0.485
LON-WEI-adc59df6-98
0.471
ERI-UCB-fbdd3ea1-20
0.471
LON-WEI-adc59df6-102
0.459
JAN-GHE-d851b096-8
0.450
LON-WEI-adc59df6-95
0.437
LON-WEI-d1c9908a-1
0.436
LON-WEI-adc59df6-80
0.434
LON-WEI-adc59df6-103
0.433
LON-WEI-adc59df6-73
0.431
LON-WEI-b8d98729-7
0.430
LON-WEI-adc59df6-70
0.430
LON-WEI-adc59df6-72
0.430
ERI-UCB-fbdd3ea1-31
0.430
LON-WEI-adc59df6-84
0.429
LON-WEI-8f408cad-8
0.429
LON-WEI-b8d98729-31
0.426
LON-WEI-adc59df6-83
0.426
ERI-UCB-fbdd3ea1-30
0.425
LON-WEI-adc59df6-85
0.425
LON-WEI-adc59df6-74
0.423
LON-WEI-b8d98729-32
0.422
LON-WEI-adc59df6-76
0.421
LON-WEI-b8d98729-10
0.417
LON-WEI-adc59df6-65
0.417
RAL-MED-9a5eb9cb-12
0.416
ERI-UCB-fbdd3ea1-4
0.416
LON-WEI-b8d98729-6
0.416
LON-WEI-adc59df6-101
0.413
NIR-WEI-f9286bb6-2
0.412
LON-WEI-8f408cad-9
0.410
LON-WEI-adc59df6-79
0.410
ERI-UCB-fbdd3ea1-11
0.408
LON-WEI-b8d98729-23
0.408
LON-WEI-adc59df6-68
0.407
LON-WEI-adc59df6-81
0.406
RAL-MED-9a5eb9cb-8
0.406
LON-WEI-adc59df6-82
0.404
LON-WEI-adc59df6-100
0.404
LON-WEI-adc59df6-91
0.400
ERI-UCB-fbdd3ea1-15
0.400
ERI-UCB-fbdd3ea1-13
0.400
LON-WEI-adc59df6-88
0.398
LON-WEI-adc59df6-66
0.396
ERI-UCB-fbdd3ea1-17
0.393
ERI-UCB-fbdd3ea1-12
0.393
LON-WEI-adc59df6-104
0.391
ERI-UCB-fbdd3ea1-16
0.389
LON-WEI-adc59df6-78
0.385
LON-WEI-adc59df6-87
0.382
LON-WEI-adc59df6-21
0.369
LON-WEI-adc59df6-14
0.364
ERI-UCB-fbdd3ea1-14
0.362
ERI-UCB-fbdd3ea1-33
0.362
ERI-UCB-fbdd3ea1-7
0.360
LON-WEI-adc59df6-77
0.359
LON-WEI-adc59df6-44
0.358
LON-WEI-adc59df6-35
0.358
NIM-NMI-8bb27a2b-3
0.358
ALP-POS-e980f4ea-3
0.357
ERI-UCB-fbdd3ea1-6
0.354
RAL-MED-9a5eb9cb-14
0.352
LON-WEI-adc59df6-8
0.351
ERI-UCB-fbdd3ea1-8
0.350
ERI-UCB-fbdd3ea1-5
0.348
NIM-NMI-8bb27a2b-1
0.348
DAR-DIA-2b784ede-44
0.347
LON-WEI-adc59df6-39
0.345
ALP-POS-ced8ea4d-3
0.344
LON-WEI-adc59df6-11
0.342
LON-WEI-adc59df6-3
0.340
RAL-MED-9a5eb9cb-6
0.340
LON-WEI-adc59df6-30
0.340
BRU-THA-92256091-53
0.338
JAN-GHE-d851b096-4
0.336
LON-WEI-adc59df6-10
0.336
NIM-NMI-8bb27a2b-11
0.336
LON-WEI-adc59df6-9
0.336
NIM-NMI-8bb27a2b-7
0.336
DAR-DIA-2b784ede-46
0.336
LON-WEI-adc59df6-42
0.333