Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NCCCOCCOCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1cccnc1 |
MW: | 724.36 |
Fraction sp3: | 0.4 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 17 |
TPSA: | 159.27 |
cLogP: | 4.05 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Glutarimides
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-30
0.920
DAR-DIA-9e4459de-25
0.816
DAR-DIA-9e4459de-29
0.761
DAR-DIA-9e4459de-26
0.748
DAR-DIA-9e4459de-27
0.623
LON-WEI-adc59df6-27
0.508
LON-WEI-adc59df6-10
0.492
LON-WEI-adc59df6-26
0.469
LON-WEI-adc59df6-7
0.463
LON-WEI-adc59df6-17
0.458
LON-WEI-adc59df6-25
0.457
LON-WEI-adc59df6-22
0.456
LON-WEI-adc59df6-29
0.454
LON-WEI-adc59df6-19
0.449
LON-WEI-adc59df6-32
0.449
LON-WEI-adc59df6-30
0.445
PAU-WEI-5b8d5051-1
0.439
LON-WEI-adc59df6-47
0.439
LON-POS-586a7c45-1
0.439
LON-WEI-adc59df6-44
0.438
LON-WEI-adc59df6-2
0.438
LON-WEI-adc59df6-35
0.436
LON-WEI-adc59df6-28
0.433
LON-WEI-adc59df6-14
0.432
LON-WEI-adc59df6-8
0.430
LON-WEI-adc59df6-23
0.428
LON-WEI-adc59df6-36
0.426
LON-WEI-adc59df6-40
0.426
LON-WEI-adc59df6-39
0.423
NIM-NMI-8bb27a2b-16
0.422
LON-WEI-adc59df6-1
0.420
LON-WEI-adc59df6-20
0.420
LON-WEI-8f408cad-8
0.419
LON-WEI-adc59df6-34
0.414
LON-WEI-adc59df6-3
0.414
NIM-NMI-8bb27a2b-23
0.413
LON-WEI-adc59df6-18
0.410
LON-WEI-adc59df6-6
0.406
LON-WEI-adc59df6-21
0.405
LON-WEI-adc59df6-42
0.404
LON-WEI-adc59df6-45
0.403
LON-WEI-d1c9908a-9
0.401
LON-WEI-adc59df6-31
0.400
LON-WEI-adc59df6-46
0.400
LON-WEI-adc59df6-41
0.399
LON-WEI-adc59df6-24
0.396
ALP-POS-88a7a97e-3
0.394
LON-WEI-adc59df6-9
0.394
LON-WEI-d1c9908a-10
0.394
NIM-NMI-8bb27a2b-19
0.394
NIM-NMI-8bb27a2b-24
0.394
LON-WEI-adc59df6-43
0.393
LON-WEI-adc59df6-4
0.393
NIM-NMI-8bb27a2b-18
0.393
LON-WEI-adc59df6-11
0.388
LON-WEI-babf2c61-9
0.386
LON-WEI-d1c9908a-7
0.386
LON-WEI-adc59df6-12
0.385
ALP-POS-88a7a97e-46
0.385
LON-WEI-adc59df6-15
0.385
LON-WEI-adc59df6-37
0.385
LON-WEI-d1c9908a-3
0.379
LON-WEI-adc59df6-5
0.378
LON-WEI-adc59df6-91
0.377
LON-WEI-adc59df6-33
0.375
LON-WEI-d1c9908a-12
0.375
ALP-POS-88a7a97e-13
0.374
LON-WEI-adc59df6-16
0.372
NIM-NMI-8bb27a2b-17
0.372
RAL-MED-9a5eb9cb-15
0.371
ALP-POS-88a7a97e-35
0.371
BRU-THA-40a53a3c-1
0.370
LON-WEI-adc59df6-13
0.368
ALP-POS-88a7a97e-31
0.368
ERI-UCB-fbdd3ea1-4
0.368
RAL-MED-9a5eb9cb-12
0.368
NIM-NMI-8bb27a2b-15
0.366
ALP-POS-88a7a97e-29
0.366
ALP-POS-88a7a97e-38
0.366
NIM-NMI-8bb27a2b-27
0.365
MAT-POS-f2460aef-3
0.364
NIM-NMI-8bb27a2b-20
0.364
NIM-NMI-8bb27a2b-2
0.364
ALP-POS-88a7a97e-48
0.362
ALP-POS-88a7a97e-16
0.361
ALP-POS-42f3de95-2
0.360
LON-WEI-b8d98729-36
0.360
LON-WEI-adc59df6-82
0.360
LON-WEI-adc59df6-38
0.359
NIM-NMI-8bb27a2b-28
0.359
LON-WEI-adc59df6-83
0.359
LON-WEI-b8d98729-35
0.359
ALP-POS-88a7a97e-19
0.358
LON-WEI-b8d98729-6
0.358
PET-UNK-48ab5cd7-2
0.358
LON-WEI-b8d98729-41
0.357
ALP-POS-88a7a97e-28
0.356
ALP-POS-88a7a97e-32
0.356
RAL-MED-9a5eb9cb-10
0.356
ALP-POS-88a7a97e-47
0.355