Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(CC#N)cc1)[C@@H](C(=O)NC)c1cnccc1C |
MW: | 348.16 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.09 |
cLogP: | 2.46 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
DAR-DIA-2b784ede-4
0.753
DAR-DIA-2b784ede-2
0.714
DAR-DIA-2b784ede-10
0.698
DAR-DIA-2b784ede-1
0.646
DAR-DIA-2b784ede-22
0.635
DAR-DIA-2b784ede-6
0.613
DAR-DIA-2b784ede-21
0.600
DAR-DIA-2b784ede-28
0.575
DAR-DIA-2b784ede-23
0.567
DAR-DIA-2b784ede-30
0.560
LON-WEI-adc59df6-61
0.542
DAR-DIA-2b784ede-5
0.541
DAR-DIA-2b784ede-9
0.538
DAR-DIA-2b784ede-19
0.533
DAR-DIA-2b784ede-11
0.532
DAR-DIA-2b784ede-32
0.511
DAR-DIA-2b784ede-37
0.505
DAR-DIA-2b784ede-40
0.505
DAR-DIA-2b784ede-39
0.500
DAR-DIA-2b784ede-31
0.494
DAR-DIA-2b784ede-12
0.485
DAR-DIA-2b784ede-24
0.484
DAR-DIA-2b784ede-41
0.480
DAR-DIA-2b784ede-33
0.478
DAR-DIA-2b784ede-15
0.476
DAR-DIA-2b784ede-38
0.474
DAR-DIA-2b784ede-20
0.453
DAR-DIA-2b784ede-7
0.449
DAR-DIA-2b784ede-16
0.448
DAR-DIA-2b784ede-14
0.435
DAR-DIA-2b784ede-27
0.422
LON-WEI-adc59df6-50
0.418
RAL-MED-9a5eb9cb-10
0.411
LON-WEI-adc59df6-78
0.408
DAR-DIA-2b784ede-18
0.407
LON-WEI-adc59df6-3
0.404
DAR-DIA-2b784ede-8
0.404
DAR-DIA-2b784ede-29
0.402
LON-WEI-adc59df6-51
0.398
DAR-DIA-2b784ede-36
0.394
DAR-DIA-48c639f7-16
0.387
DAR-DIA-48c639f7-11
0.385
DAR-DIA-2b784ede-25
0.384
DAR-DIA-2b784ede-35
0.377
DAR-DIA-2b784ede-13
0.377
WIL-UNI-a125ac6f-2
0.374
DAR-DIA-48c639f7-15
0.373
DAR-DIA-2b784ede-34
0.367
DAR-DIA-48c639f7-10
0.361
LON-WEI-adc59df6-30
0.358
LON-WEI-adc59df6-59
0.357
LON-WEI-adc59df6-82
0.357
DAR-DIA-2b784ede-47
0.355
DAR-DIA-48c639f7-14
0.353
LON-WEI-adc59df6-48
0.351
DAR-DIA-48c639f7-12
0.351
DAR-DIA-48c639f7-18
0.351
DAR-DIA-2b784ede-17
0.351
LON-WEI-adc59df6-55
0.351
LON-WEI-b8d98729-2
0.349
LON-WEI-adc59df6-21
0.347
DAR-DIA-48c639f7-13
0.347
LON-WEI-b8d98729-39
0.346
ERI-UCB-fbdd3ea1-1
0.346
ERI-UCB-fbdd3ea1-2
0.346
NIM-NMI-8bb27a2b-22
0.343
LON-WEI-adc59df6-5
0.343
ROB-UNI-269bf23d-1
0.343
RAL-MED-9a5eb9cb-11
0.341
ERI-UCB-fbdd3ea1-4
0.340
RAL-MED-9a5eb9cb-12
0.340
LON-WEI-b8d98729-6
0.340
RAL-MED-9a5eb9cb-9
0.340
LON-WEI-b8d98729-24
0.340
LON-WEI-adc59df6-36
0.340
JAN-GHE-d851b096-4
0.340
LON-WEI-d1c9908a-10
0.340
DAR-DIA-48c639f7-9
0.339
LON-WEI-8f408cad-8
0.337
NIM-NMI-8bb27a2b-24
0.337
NIM-NMI-8bb27a2b-19
0.337
LON-WEI-b8d98729-47
0.337
NIM-NMI-8bb27a2b-18
0.337
ALF-EVA-46063d6e-7
0.336
LON-WEI-d1c9908a-6
0.336
LON-WEI-adc59df6-28
0.333
ALP-POS-780445ae-1
0.333
BRU-LEF-973da26b-1
0.333
LON-WEI-b8d98729-17
0.333
LON-WEI-b8d98729-27
0.333
LON-WEI-adc59df6-20
0.333
LON-WEI-adc59df6-46
0.333
NIM-NMI-8bb27a2b-16
0.333
RIT-AID-af4ac3d4-1
0.333
LON-WEI-b8d98729-29
0.333
DAR-DIA-2b784ede-54
0.333
ALF-EVA-46063d6e-4
0.330
LON-WEI-b8d98729-16
0.330
ALF-EVA-46063d6e-5
0.330
NIM-NMI-8bb27a2b-26
0.330