Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(CCl)cc1)[C@@H](C(=O)Nc1c(C)cccc1CC)c1cnccc1C |
MW: | 461.19 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 5.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-2b784ede-10
0.805
DAR-DIA-2b784ede-7
0.779
DAR-DIA-2b784ede-8
0.725
DAR-DIA-2b784ede-16
0.716
DAR-DIA-2b784ede-11
0.703
DAR-DIA-2b784ede-15
0.677
DAR-DIA-2b784ede-4
0.675
DAR-DIA-2b784ede-18
0.663
DAR-DIA-2b784ede-38
0.656
DAR-DIA-2b784ede-14
0.627
DAR-DIA-2b784ede-12
0.626
DAR-DIA-2b784ede-35
0.602
DAR-DIA-2b784ede-34
0.600
DAR-DIA-2b784ede-39
0.598
DAR-DIA-2b784ede-17
0.587
DAR-DIA-2b784ede-36
0.567
DAR-DIA-2b784ede-13
0.556
ERI-UCB-fbdd3ea1-1
0.550
ERI-UCB-fbdd3ea1-2
0.550
LON-WEI-b8d98729-39
0.550
LON-WEI-d1c9908a-10
0.545
LON-WEI-b8d98729-2
0.540
DAR-DIA-2b784ede-3
0.538
LON-WEI-b8d98729-29
0.535
LON-WEI-b8d98729-18
0.535
DAR-DIA-2b784ede-37
0.525
LON-WEI-b8d98729-45
0.524
LON-WEI-d1c9908a-8
0.524
DAR-DIA-2b784ede-6
0.522
DAR-DIA-2b784ede-47
0.495
LON-WEI-b8d98729-42
0.495
DAR-DIA-2b784ede-40
0.495
DAR-DIA-2b784ede-5
0.479
LON-WEI-adc59df6-61
0.479
DAR-DIA-2b784ede-2
0.474
LON-WEI-b8d98729-48
0.473
DAR-DIA-2b784ede-41
0.472
DAR-DIA-2b784ede-21
0.455
ERI-UCB-fbdd3ea1-3
0.448
LON-WEI-b8d98729-46
0.440
DAR-DIA-2b784ede-29
0.438
DAR-DIA-2b784ede-19
0.433
LON-WEI-b8d98729-20
0.432
DAR-DIA-2b784ede-22
0.429
NIM-NMI-8bb27a2b-22
0.423
DAR-DIA-2b784ede-27
0.419
DAR-DIA-2b784ede-42
0.414
NIM-NMI-8bb27a2b-21
0.413
DAR-DIA-2b784ede-23
0.407
DAR-DIA-2b784ede-30
0.406
DAR-DIA-2b784ede-1
0.404
DAR-DIA-2b784ede-53
0.387
DAR-DIA-2b784ede-28
0.383
DAR-DIA-2b784ede-46
0.375
LON-WEI-adc59df6-50
0.373
DAR-DIA-2b784ede-33
0.371
DAR-DIA-2b784ede-31
0.369
DAR-DIA-2b784ede-20
0.367
DAR-DIA-2b784ede-26
0.366
LON-WEI-d1c9908a-6
0.362
DAR-DIA-2b784ede-45
0.361
DAR-DIA-48c639f7-11
0.361
DAR-DIA-48c639f7-15
0.361
LON-WEI-b8d98729-17
0.359
LON-WEI-b8d98729-16
0.356
DAR-DIA-2b784ede-48
0.356
LON-WEI-adc59df6-51
0.356
JAN-GHE-d851b096-4
0.355
DAR-DIA-2b784ede-44
0.352
WIL-UNI-a125ac6f-2
0.349
DAR-DIA-2b784ede-32
0.349
DAR-DIA-2b784ede-24
0.345
ROB-UNI-269bf23d-1
0.345
LON-WEI-b8d98729-33
0.342
DAR-DIA-48c639f7-16
0.341
DAR-DIA-48c639f7-18
0.341
DAR-DIA-48c639f7-12
0.341
NIM-NMI-8bb27a2b-18
0.339
DAR-DIA-48c639f7-6
0.339
NIM-NMI-8bb27a2b-16
0.336
RIT-AID-af4ac3d4-1
0.336
LON-WEI-adc59df6-46
0.336
DAR-DIA-2b784ede-54
0.336
DAR-DIA-48c639f7-7
0.333
LON-WEI-b8d98729-35
0.333
LON-WEI-adc59df6-14
0.333
LON-WEI-adc59df6-24
0.333
LON-WEI-adc59df6-30
0.333
LON-WEI-adc59df6-73
0.333
LON-WEI-adc59df6-5
0.333
ALF-EVA-46063d6e-6
0.331
ALF-EVA-719172df-5
0.331
DAR-DIA-48c639f7-17
0.331
ALP-POS-02c6a514-44
0.331
DAR-DIA-2b784ede-43
0.331
PAU-WEI-df8f33bc-2
0.331
LON-WEI-adc59df6-9
0.330
LON-WEI-adc59df6-15
0.330
LON-WEI-adc59df6-12
0.330
LON-WEI-b8d98729-24
0.330