Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1ccccn1 |
MW: | 384.22 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.33 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-24
0.636
ERI-UCB-fbdd3ea1-26
0.615
LON-WEI-b8d98729-23
0.598
ERI-UCB-fbdd3ea1-29
0.553
ERI-UCB-fbdd3ea1-27
0.533
ERI-UCB-fbdd3ea1-7
0.489
NIM-NMI-8bb27a2b-3
0.489
DAR-DIA-2b784ede-31
0.483
ERI-UCB-fbdd3ea1-6
0.479
ERI-UCB-fbdd3ea1-5
0.469
NIM-NMI-8bb27a2b-1
0.469
NIM-NMI-8bb27a2b-10
0.464
NIM-NMI-8bb27a2b-12
0.458
ERI-UCB-fbdd3ea1-9
0.457
NIM-NMI-8bb27a2b-4
0.457
NIM-NMI-8bb27a2b-11
0.457
NIM-NMI-8bb27a2b-2
0.453
NIM-NMI-8bb27a2b-6
0.453
ERI-UCB-fbdd3ea1-32
0.449
NIM-NMI-8bb27a2b-5
0.443
ERI-UCB-fbdd3ea1-8
0.440
NIM-NMI-8bb27a2b-13
0.440
LON-WEI-b8d98729-46
0.436
DAR-DIA-2b784ede-35
0.436
ERI-UCB-fbdd3ea1-33
0.433
ERI-UCB-fbdd3ea1-28
0.433
LON-WEI-babf2c61-10
0.431
LON-WEI-b8d98729-43
0.431
LON-WEI-b8d98729-15
0.427
NIM-NMI-8bb27a2b-8
0.427
NIM-NMI-8bb27a2b-9
0.427
ERI-UCB-fbdd3ea1-10
0.427
ERI-UCB-fbdd3ea1-30
0.427
NIM-NMI-8bb27a2b-14
0.423
NIM-NMI-8bb27a2b-7
0.422
ERI-UCB-fbdd3ea1-31
0.418
LON-WEI-babf2c61-13
0.417
LON-WEI-babf2c61-12
0.413
DAR-DIA-2b784ede-32
0.406
LON-WEI-babf2c61-11
0.406
DAR-DIA-2b784ede-33
0.404
LON-WEI-adc59df6-48
0.400
LON-WEI-babf2c61-14
0.391
ERI-UCB-fbdd3ea1-34
0.387
JAN-GHE-d851b096-7
0.379
LON-WEI-adc59df6-56
0.376
LON-WEI-adc59df6-81
0.376
DAR-DIA-2b784ede-36
0.373
DAR-DIA-2b784ede-34
0.370
ERI-UCB-fbdd3ea1-11
0.351
LON-WEI-adc59df6-99
0.347
LON-WEI-adc59df6-70
0.344
ERI-UCB-fbdd3ea1-13
0.343
ERI-UCB-fbdd3ea1-15
0.343
RIT-AID-a497c99f-1
0.341
LON-WEI-8f408cad-8
0.340
LON-WEI-adc59df6-61
0.337
LON-WEI-b8d98729-32
0.337
LON-WEI-adc59df6-49
0.333
LON-WEI-adc59df6-73
0.333
LON-WEI-b8d98729-31
0.333
LON-WEI-adc59df6-101
0.330
LON-WEI-adc59df6-51
0.330
LON-WEI-adc59df6-87
0.327
LON-WEI-8f408cad-9
0.327
LON-WEI-adc59df6-95
0.327
NIR-WEI-f9286bb6-2
0.327
LON-WEI-adc59df6-58
0.327
ERI-UCB-fbdd3ea1-12
0.324
ERI-UCB-fbdd3ea1-17
0.324
LON-WEI-d1c9908a-1
0.323
JAN-GHE-d851b096-8
0.323
ERI-UCB-fbdd3ea1-14
0.321
LON-WEI-adc59df6-84
0.320
ERI-UCB-fbdd3ea1-16
0.320
ERI-UCB-fbdd3ea1-22
0.320
LON-WEI-adc59df6-50
0.320
LON-WEI-adc59df6-53
0.320
LON-WEI-adc59df6-54
0.320
LON-WEI-adc59df6-80
0.320
LON-WEI-adc59df6-85
0.317
LON-WEI-adc59df6-78
0.317
LON-WEI-adc59df6-91
0.317
LON-WEI-adc59df6-57
0.317
ERI-UCB-fbdd3ea1-4
0.316
LON-WEI-b8d98729-6
0.316
RAL-MED-9a5eb9cb-12
0.316
LON-WEI-b8d98729-7
0.316
ERI-UCB-fbdd3ea1-19
0.316
LON-WEI-adc59df6-60
0.316
LON-WEI-adc59df6-68
0.314
LON-WEI-adc59df6-74
0.314
LON-WEI-adc59df6-79
0.314
LON-WEI-adc59df6-55
0.313
LON-WEI-adc59df6-65
0.311
LON-WEI-adc59df6-98
0.311
LON-WEI-adc59df6-100
0.311
LON-WEI-adc59df6-62
0.311
LON-WEI-adc59df6-63
0.311
LON-WEI-adc59df6-71
0.311