Molecular Properties | |
SMILES: | C=CC(=O)N(c1cnn(C(C)(C)C)c1)[C@@H](C(=O)NC)c1cnccc1C |
MW: | 355.2 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 80.12 |
cLogP: | 2.35 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
DAR-DIA-2b784ede-28
0.813
DAR-DIA-2b784ede-29
0.656
DAR-DIA-2b784ede-4
0.588
DAR-DIA-2b784ede-6
0.580
DAR-DIA-2b784ede-2
0.560
DAR-DIA-2b784ede-3
0.560
DAR-DIA-2b784ede-19
0.557
DAR-DIA-2b784ede-27
0.556
DAR-DIA-2b784ede-31
0.554
DAR-DIA-2b784ede-33
0.535
DAR-DIA-2b784ede-21
0.534
LON-WEI-adc59df6-61
0.530
DAR-DIA-2b784ede-23
0.522
DAR-DIA-2b784ede-32
0.517
DAR-DIA-2b784ede-22
0.516
DAR-DIA-2b784ede-5
0.494
DAR-DIA-2b784ede-1
0.473
DAR-DIA-2b784ede-20
0.457
DAR-DIA-2b784ede-39
0.444
DAR-DIA-2b784ede-24
0.443
DAR-DIA-2b784ede-38
0.434
DAR-DIA-2b784ede-40
0.434
DAR-DIA-2b784ede-37
0.434
DAR-DIA-2b784ede-41
0.413
DAR-DIA-2b784ede-7
0.410
DAR-DIA-2b784ede-9
0.406
DAR-DIA-2b784ede-11
0.402
DAR-DIA-2b784ede-18
0.398
DAR-DIA-2b784ede-10
0.394
DAR-DIA-2b784ede-35
0.394
LON-WEI-adc59df6-3
0.393
LON-WEI-adc59df6-50
0.391
DAR-DIA-2b784ede-25
0.388
LON-WEI-adc59df6-51
0.387
RAL-MED-9a5eb9cb-10
0.385
DAR-DIA-2b784ede-34
0.383
DAR-DIA-2b784ede-14
0.375
DAR-DIA-2b784ede-16
0.373
DAR-DIA-2b784ede-36
0.373
DAR-DIA-2b784ede-47
0.370
LON-WEI-adc59df6-85
0.370
DAR-DIA-2b784ede-15
0.363
DAR-DIA-2b784ede-8
0.355
DAR-DIA-2b784ede-54
0.347
ROB-UNI-269bf23d-1
0.346
ERI-UCB-fbdd3ea1-15
0.343
LON-WEI-adc59df6-15
0.343
DAR-DIA-2b784ede-12
0.342
LON-WEI-adc59df6-55
0.340
DAR-DIA-48c639f7-11
0.339
DAR-DIA-48c639f7-15
0.339
LON-WEI-adc59df6-21
0.337
WIL-UNI-a125ac6f-2
0.337
RIT-AID-af4ac3d4-1
0.337
LON-WEI-adc59df6-46
0.337
ALP-POS-780445ae-1
0.336
LON-WEI-adc59df6-5
0.333
LON-WEI-adc59df6-59
0.333
LON-WEI-adc59df6-73
0.333
LON-WEI-adc59df6-30
0.333
LON-WEI-adc59df6-41
0.333
DAR-DIA-2b784ede-17
0.330
LON-WEI-adc59df6-12
0.330
LON-WEI-d1c9908a-7
0.330
RAL-MED-9a5eb9cb-9
0.330
RAL-MED-9a5eb9cb-12
0.330
ERI-UCB-fbdd3ea1-4
0.330
LON-WEI-8f408cad-9
0.327
LON-WEI-adc59df6-95
0.327
LON-WEI-adc59df6-44
0.327
LON-WEI-8f408cad-8
0.326
LON-WEI-b8d98729-27
0.324
LON-WEI-b8d98729-32
0.323
DAR-DIA-48c639f7-14
0.322
DAR-DIA-2b784ede-13
0.322
NIM-NMI-8bb27a2b-26
0.321
ALF-EVA-46063d6e-5
0.321
LON-WEI-adc59df6-24
0.321
LON-WEI-b8d98729-35
0.321
LON-WEI-adc59df6-52
0.320
NIM-NMI-8bb27a2b-22
0.320
LON-WEI-adc59df6-31
0.320
LON-WEI-adc59df6-56
0.320
LON-WEI-adc59df6-80
0.320
DAR-DIA-48c639f7-16
0.319
DAR-DIA-48c639f7-12
0.319
DAR-DIA-48c639f7-18
0.319
LON-WEI-adc59df6-4
0.318
LON-WEI-adc59df6-43
0.318
LON-WEI-b8d98729-33
0.318
LON-WEI-b8d98729-11
0.318
LON-WEI-b8d98729-14
0.318
JAN-GHE-d851b096-4
0.317
DAR-DIA-48c639f7-13
0.317
LON-WEI-adc59df6-101
0.317
LON-WEI-b8d98729-6
0.316
LON-WEI-adc59df6-70
0.316
LON-WEI-b8d98729-7
0.316
MAT-POS-c0143b99-1
0.315
ALF-EVA-46063d6e-7
0.315