Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCc1cccc(Cl)c1)c1cccnc1 |
MW: | 452.16 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 4.6 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-13
0.780
NIM-NMI-8bb27a2b-10
0.758
NIM-NMI-8bb27a2b-4
0.703
ERI-UCB-fbdd3ea1-9
0.685
NIM-NMI-8bb27a2b-2
0.677
LON-WEI-babf2c61-10
0.673
NIM-NMI-8bb27a2b-11
0.667
NIM-NMI-8bb27a2b-5
0.646
NIM-NMI-8bb27a2b-12
0.646
LON-WEI-b8d98729-23
0.637
ERI-UCB-fbdd3ea1-10
0.618
LON-WEI-b8d98729-15
0.618
NIM-NMI-8bb27a2b-3
0.617
NIM-NMI-8bb27a2b-27
0.614
NIM-NMI-8bb27a2b-6
0.608
NIM-NMI-8bb27a2b-7
0.598
ERI-UCB-fbdd3ea1-7
0.598
ERI-UCB-fbdd3ea1-6
0.586
LON-WEI-b8d98729-46
0.583
NIM-NMI-8bb27a2b-1
0.574
ERI-UCB-fbdd3ea1-5
0.574
ERI-UCB-fbdd3ea1-28
0.561
ERI-UCB-fbdd3ea1-8
0.558
LON-WEI-b8d98729-43
0.547
NIM-NMI-8bb27a2b-8
0.542
NIM-NMI-8bb27a2b-9
0.542
LON-WEI-babf2c61-11
0.532
LON-WEI-babf2c61-13
0.505
LON-WEI-babf2c61-12
0.500
LON-WEI-adc59df6-20
0.495
LON-WEI-adc59df6-28
0.485
JAN-GHE-d851b096-7
0.481
ERI-UCB-fbdd3ea1-32
0.481
LON-WEI-adc59df6-40
0.476
ALP-POS-95f71980-16
0.474
LON-WEI-babf2c61-14
0.474
DAR-DIA-2b784ede-31
0.470
ERI-UCB-fbdd3ea1-33
0.470
ERI-UCB-fbdd3ea1-24
0.469
ERI-UCB-fbdd3ea1-26
0.469
ERI-UCB-fbdd3ea1-31
0.467
ERI-UCB-fbdd3ea1-30
0.462
LON-WEI-adc59df6-36
0.462
JAN-GHE-d851b096-8
0.461
ERI-UCB-fbdd3ea1-34
0.460
LON-WEI-adc59df6-23
0.450
NIM-NMI-8bb27a2b-28
0.450
DAR-DIA-2b784ede-35
0.442
LON-POS-586a7c45-1
0.438
LON-WEI-adc59df6-47
0.438
PAU-WEI-5b8d5051-1
0.438
NIM-NMI-8bb27a2b-20
0.431
RYA-UNI-c3f66fb2-1
0.429
RYA-UNI-f4a878f6-1
0.427
ERI-UCB-fbdd3ea1-25
0.423
JAN-GHE-d851b096-4
0.422
LON-WEI-adc59df6-17
0.421
JAN-GHE-d851b096-9
0.421
LON-WEI-adc59df6-30
0.417
DAR-DIA-2b784ede-32
0.417
DAR-DIA-2b784ede-33
0.415
LON-WEI-adc59df6-29
0.415
ERI-UCB-fbdd3ea1-29
0.415
LON-WEI-adc59df6-10
0.409
LON-WEI-babf2c61-9
0.409
LON-WEI-adc59df6-26
0.407
ALP-POS-02c6a514-57
0.405
LON-WEI-adc59df6-31
0.402
LON-WEI-adc59df6-27
0.400
LON-WEI-adc59df6-2
0.398
LON-WEI-adc59df6-101
0.398
DAR-DIA-2b784ede-36
0.397
ERI-UCB-fbdd3ea1-14
0.397
LON-WEI-adc59df6-25
0.397
DAR-DIA-2b784ede-34
0.395
LON-WEI-adc59df6-33
0.395
ERI-UCB-fbdd3ea1-27
0.395
NIM-NMI-8bb27a2b-24
0.394
LON-WEI-adc59df6-21
0.394
LON-WEI-adc59df6-3
0.392
PET-UNK-48ab5cd7-4
0.392
LON-WEI-b8d98729-21
0.391
LON-WEI-adc59df6-7
0.391
ERI-UCB-fbdd3ea1-12
0.391
LON-WEI-adc59df6-81
0.390
MIC-UNK-8686cf1d-9
0.390
LON-WEI-adc59df6-46
0.389
LON-WEI-adc59df6-73
0.389
DAR-DIA-2b784ede-45
0.388
LON-WEI-adc59df6-32
0.388
ERI-UCB-fbdd3ea1-16
0.387
ERI-UCB-fbdd3ea1-13
0.385
ERI-UCB-fbdd3ea1-15
0.385
LON-WEI-8f408cad-8
0.385
ALP-POS-305f6ec3-44
0.383
LON-WEI-adc59df6-44
0.383
ALP-POS-88a7a97e-4
0.383
LON-WEI-b8d98729-33
0.383
LON-WEI-adc59df6-9
0.383
LON-WEI-adc59df6-15
0.383