Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(CCl)nc1)[C@@H](C(=O)Nc1c(C)cccc1CC)c1cnccc1C |
MW: | 462.18 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.19 |
cLogP: | 5.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-2b784ede-11
0.812
DAR-DIA-2b784ede-9
0.779
DAR-DIA-2b784ede-18
0.705
DAR-DIA-2b784ede-8
0.696
DAR-DIA-2b784ede-10
0.696
DAR-DIA-2b784ede-6
0.695
DAR-DIA-2b784ede-16
0.670
DAR-DIA-2b784ede-14
0.667
DAR-DIA-2b784ede-15
0.634
DAR-DIA-2b784ede-35
0.625
DAR-DIA-2b784ede-34
0.622
DAR-DIA-2b784ede-12
0.616
DAR-DIA-2b784ede-38
0.611
DAR-DIA-2b784ede-17
0.608
DAR-DIA-2b784ede-36
0.604
DAR-DIA-2b784ede-13
0.575
DAR-DIA-2b784ede-2
0.560
LON-WEI-b8d98729-18
0.556
DAR-DIA-2b784ede-39
0.556
ERI-UCB-fbdd3ea1-2
0.525
ERI-UCB-fbdd3ea1-1
0.525
LON-WEI-b8d98729-39
0.525
LON-WEI-d1c9908a-10
0.520
LON-WEI-b8d98729-2
0.515
LON-WEI-b8d98729-29
0.510
LON-WEI-d1c9908a-8
0.500
LON-WEI-b8d98729-45
0.500
DAR-DIA-2b784ede-4
0.500
DAR-DIA-2b784ede-47
0.500
LON-WEI-b8d98729-42
0.500
LON-WEI-b8d98729-48
0.477
DAR-DIA-2b784ede-19
0.465
LON-WEI-b8d98729-46
0.458
DAR-DIA-2b784ede-37
0.457
DAR-DIA-2b784ede-5
0.454
DAR-DIA-2b784ede-3
0.449
DAR-DIA-2b784ede-29
0.441
DAR-DIA-2b784ede-23
0.438
LON-WEI-adc59df6-61
0.438
LON-WEI-b8d98729-20
0.436
DAR-DIA-2b784ede-40
0.430
DAR-DIA-2b784ede-42
0.430
ERI-UCB-fbdd3ea1-3
0.425
DAR-DIA-2b784ede-27
0.422
DAR-DIA-2b784ede-21
0.417
DAR-DIA-2b784ede-41
0.411
DAR-DIA-2b784ede-30
0.410
DAR-DIA-2b784ede-53
0.404
NIM-NMI-8bb27a2b-22
0.400
DAR-DIA-2b784ede-1
0.394
DAR-DIA-2b784ede-22
0.393
NIM-NMI-8bb27a2b-21
0.391
DAR-DIA-2b784ede-33
0.388
DAR-DIA-2b784ede-28
0.387
DAR-DIA-2b784ede-31
0.386
DAR-DIA-2b784ede-20
0.383
DAR-DIA-2b784ede-32
0.377
DAR-DIA-2b784ede-46
0.367
DAR-DIA-2b784ede-45
0.364
DAR-DIA-2b784ede-24
0.360
DAR-DIA-2b784ede-48
0.359
DAR-DIA-2b784ede-26
0.358
ROB-UNI-269bf23d-1
0.348
LON-WEI-b8d98729-16
0.347
DAR-DIA-2b784ede-43
0.345
DAR-DIA-48c639f7-17
0.345
DAR-DIA-2b784ede-44
0.344
NIM-NMI-8bb27a2b-6
0.342
DAR-DIA-48c639f7-11
0.342
WIL-UNI-a125ac6f-2
0.339
ALF-EVA-46063d6e-1
0.339
LON-WEI-adc59df6-50
0.337
LON-WEI-adc59df6-73
0.336
JAN-GHE-d851b096-4
0.333
LON-WEI-b8d98729-11
0.333
LON-WEI-b8d98729-33
0.333
NIM-NMI-8bb27a2b-7
0.333
DAR-DIA-48c639f7-6
0.331
DAR-DIA-48c639f7-15
0.331
LON-WEI-b8d98729-26
0.331
LON-WEI-d1c9908a-6
0.331
DAR-DIA-2b784ede-54
0.328
DAR-DIA-48c639f7-8
0.328
LON-WEI-b8d98729-17
0.328
RIT-AID-af4ac3d4-1
0.327
LON-WEI-b8d98729-32
0.327
DAR-DIA-48c639f7-7
0.325
LON-WEI-b8d98729-35
0.325
DAR-DIA-48c639f7-18
0.323
PAU-WEI-df8f33bc-2
0.322
ALP-POS-02c6a514-44
0.322
LON-WEI-b8d98729-14
0.322
LON-WEI-b8d98729-24
0.321
LON-WEI-adc59df6-51
0.321
DAR-DIA-48c639f7-4
0.320
DAR-DIA-48c639f7-2
0.320
LON-WEI-b8d98729-38
0.320
ALF-EVA-46063d6e-7
0.319
MAT-POS-c0143b99-1
0.319
JAN-GHE-d851b096-9
0.318