Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C#N)on1)[C@@H](C(=O)NC)c1cnccc1C |
MW: | 367.16 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 112.12 |
cLogP: | 2.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
DAR-DIA-2b784ede-31
0.836
DAR-DIA-2b784ede-33
0.779
DAR-DIA-2b784ede-36
0.696
DAR-DIA-2b784ede-35
0.579
DAR-DIA-2b784ede-1
0.562
DAR-DIA-2b784ede-34
0.545
DAR-DIA-2b784ede-24
0.543
DAR-DIA-2b784ede-5
0.534
DAR-DIA-2b784ede-28
0.533
DAR-DIA-2b784ede-30
0.517
DAR-DIA-2b784ede-6
0.511
DAR-DIA-2b784ede-2
0.511
DAR-DIA-2b784ede-3
0.511
DAR-DIA-2b784ede-22
0.505
DAR-DIA-2b784ede-20
0.495
DAR-DIA-2b784ede-4
0.483
DAR-DIA-2b784ede-23
0.480
ERI-UCB-fbdd3ea1-26
0.472
LON-WEI-b8d98729-23
0.462
DAR-DIA-2b784ede-21
0.458
NIM-NMI-8bb27a2b-3
0.448
NIM-NMI-8bb27a2b-9
0.448
NIM-NMI-8bb27a2b-6
0.444
ERI-UCB-fbdd3ea1-28
0.439
LON-WEI-adc59df6-61
0.435
NIM-NMI-8bb27a2b-4
0.434
NIM-NMI-8bb27a2b-11
0.434
DAR-DIA-2b784ede-19
0.434
ERI-UCB-fbdd3ea1-7
0.434
ERI-UCB-fbdd3ea1-9
0.434
LON-WEI-b8d98729-15
0.434
ERI-UCB-fbdd3ea1-27
0.431
NIM-NMI-8bb27a2b-2
0.430
ERI-UCB-fbdd3ea1-6
0.426
ERI-UCB-fbdd3ea1-24
0.424
NIM-NMI-8bb27a2b-12
0.422
NIM-NMI-8bb27a2b-5
0.422
NIM-NMI-8bb27a2b-8
0.421
NIM-NMI-8bb27a2b-1
0.417
ERI-UCB-fbdd3ea1-5
0.417
NIM-NMI-8bb27a2b-14
0.417
NIM-NMI-8bb27a2b-7
0.415
LON-WEI-b8d98729-46
0.415
NIM-NMI-8bb27a2b-10
0.413
LON-WEI-b8d98729-43
0.411
ERI-UCB-fbdd3ea1-10
0.407
ERI-UCB-fbdd3ea1-25
0.406
ERI-UCB-fbdd3ea1-8
0.406
NIM-NMI-8bb27a2b-13
0.406
DAR-DIA-2b784ede-12
0.400
LON-WEI-babf2c61-10
0.398
ERI-UCB-fbdd3ea1-29
0.398
DAR-DIA-2b784ede-13
0.388
DAR-DIA-2b784ede-37
0.387
DAR-DIA-2b784ede-40
0.387
LON-WEI-babf2c61-14
0.386
DAR-DIA-2b784ede-39
0.383
DAR-DIA-2b784ede-11
0.383
DAR-DIA-2b784ede-27
0.383
DAR-DIA-2b784ede-7
0.377
DAR-DIA-2b784ede-10
0.376
DAR-DIA-2b784ede-8
0.376
DAR-DIA-2b784ede-38
0.374
JAN-GHE-d851b096-7
0.374
DAR-DIA-2b784ede-15
0.371
DAR-DIA-2b784ede-41
0.369
DAR-DIA-2b784ede-25
0.369
DAR-DIA-2b784ede-47
0.366
DAR-DIA-2b784ede-29
0.363
LON-WEI-babf2c61-11
0.363
DAR-DIA-48c639f7-16
0.362
LON-WEI-babf2c61-13
0.360
DAR-DIA-2b784ede-14
0.359
ERI-UCB-fbdd3ea1-31
0.358
LON-WEI-babf2c61-12
0.357
DAR-DIA-2b784ede-54
0.355
ERI-UCB-fbdd3ea1-30
0.352
DAR-DIA-2b784ede-17
0.350
DAR-DIA-2b784ede-9
0.349
ERI-UCB-fbdd3ea1-15
0.340
ERI-UCB-fbdd3ea1-32
0.336
DAR-DIA-48c639f7-10
0.336
DAR-DIA-48c639f7-11
0.336
DAR-DIA-2b784ede-16
0.333
LON-WEI-adc59df6-3
0.330
ERI-UCB-fbdd3ea1-33
0.327
LON-WEI-adc59df6-51
0.327
DAR-DIA-48c639f7-15
0.325
RAL-MED-9a5eb9cb-10
0.323
MIC-UNK-96659df2-4
0.323
DAR-DIA-2b784ede-18
0.322
ALF-EVA-46063d6e-4
0.319
ALF-EVA-46063d6e-5
0.319
ROB-UNI-269bf23d-1
0.319
MIC-UNK-2744a8e2-12
0.318
LON-WEI-adc59df6-82
0.317
LON-WEI-adc59df6-50
0.317
PAU-WEI-df8f33bc-2
0.316
ALP-POS-02c6a514-44
0.316
DAR-DIA-48c639f7-9
0.316