Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cncc2ccccc12 |
MW: | 434.23 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.33 |
cLogP: | 4.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-52
0.633
ERI-UCB-fbdd3ea1-24
0.575
LON-WEI-b8d98729-23
0.543
ERI-UCB-fbdd3ea1-26
0.539
ERI-UCB-fbdd3ea1-25
0.533
NIR-WEI-f9286bb6-4
0.531
DAR-DIA-2b784ede-31
0.505
ERI-UCB-fbdd3ea1-29
0.490
DAR-DIA-2b784ede-35
0.444
NIR-WEI-f9286bb6-1
0.441
NIM-NMI-8bb27a2b-9
0.436
NIM-NMI-8bb27a2b-3
0.436
DAR-DIA-2b784ede-32
0.431
DAR-DIA-2b784ede-33
0.430
NIM-NMI-8bb27a2b-10
0.430
NIM-NMI-8bb27a2b-4
0.423
NIM-NMI-8bb27a2b-11
0.423
ERI-UCB-fbdd3ea1-7
0.423
ERI-UCB-fbdd3ea1-9
0.423
NIM-NMI-8bb27a2b-2
0.419
NIM-NMI-8bb27a2b-6
0.419
ERI-UCB-fbdd3ea1-32
0.417
ERI-UCB-fbdd3ea1-6
0.415
NIM-NMI-8bb27a2b-5
0.411
NIM-NMI-8bb27a2b-12
0.411
LON-WEI-babf2c61-12
0.411
NIM-NMI-8bb27a2b-13
0.409
NIM-NMI-8bb27a2b-1
0.407
ERI-UCB-fbdd3ea1-5
0.407
ERI-UCB-fbdd3ea1-28
0.404
LON-WEI-babf2c61-13
0.402
LON-WEI-b8d98729-43
0.402
ERI-UCB-fbdd3ea1-33
0.400
LON-WEI-b8d98729-15
0.398
ERI-UCB-fbdd3ea1-8
0.396
NIM-NMI-8bb27a2b-14
0.395
LON-WEI-b8d98729-46
0.393
NIM-NMI-8bb27a2b-7
0.393
ALP-POS-02c6a514-32
0.392
PAU-WEI-df8f33bc-1
0.392
LON-WEI-babf2c61-11
0.391
LON-WEI-babf2c61-10
0.389
ERI-UCB-fbdd3ea1-31
0.389
NIM-NMI-8bb27a2b-8
0.386
ERI-UCB-fbdd3ea1-10
0.386
DAR-DIA-2b784ede-36
0.385
ERI-UCB-fbdd3ea1-30
0.383
DAR-DIA-2b784ede-34
0.383
LON-WEI-adc59df6-55
0.382
LON-WEI-adc59df6-61
0.380
LON-WEI-babf2c61-14
0.378
LON-WEI-adc59df6-59
0.375
ALP-POS-780445ae-2
0.360
LON-WEI-adc59df6-51
0.359
ERI-UCB-fbdd3ea1-34
0.350
LON-WEI-adc59df6-50
0.350
ERI-UCB-fbdd3ea1-15
0.346
LON-WEI-adc59df6-54
0.337
LON-WEI-adc59df6-56
0.337
JAN-GHE-d851b096-7
0.330
LON-WEI-af038623-3
0.330
LON-WEI-adc59df6-53
0.324
LON-WEI-adc59df6-81
0.324
ERI-UCB-fbdd3ea1-13
0.321
LON-WEI-adc59df6-57
0.321
LON-WEI-adc59df6-60
0.321
LON-WEI-adc59df6-58
0.318
LON-WEI-8f408cad-8
0.317
RIT-AID-a497c99f-1
0.317
ERI-UCB-fbdd3ea1-17
0.315
ERI-UCB-fbdd3ea1-11
0.315
NAU-LAT-4ce8bf23-3
0.315
ERI-UCB-fbdd3ea1-16
0.312
LON-WEI-adc59df6-73
0.312
LON-WEI-adc59df6-49
0.311
LON-WEI-adc59df6-91
0.309
LON-WEI-adc59df6-101
0.309
RAL-MED-9a5eb9cb-12
0.308
ERI-UCB-fbdd3ea1-4
0.308
LON-WEI-adc59df6-68
0.307
LON-WEI-adc59df6-74
0.306
LON-WEI-8f408cad-9
0.306
LON-WEI-adc59df6-48
0.305
ERI-UCB-fbdd3ea1-12
0.304
LON-WEI-d1c9908a-1
0.303
JAN-GHE-d851b096-8
0.303
WIL-UNI-0732ac76-2
0.301
LON-WEI-adc59df6-77
0.300
LON-WEI-adc59df6-80
0.299
LON-WEI-adc59df6-70
0.296
LON-WEI-b8d98729-7
0.296
LON-WEI-b8d98729-6
0.296
LON-WEI-adc59df6-79
0.295
LON-WEI-adc59df6-95
0.295
NIR-WEI-f9286bb6-2
0.294
DAR-DIA-2b784ede-30
0.294
LON-WEI-adc59df6-104
0.293
LON-WEI-adc59df6-103
0.292
NAU-LAT-4ce8bf23-1
0.292
ERI-UCB-fbdd3ea1-14
0.292