Molecular Properties | |
SMILES: | CN(C)C/C=C/C(=O)N(C(=O)[C@@H]1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 449.15 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 62.74 |
cLogP: | 4.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Activated double bonds (2)
vinyl michael acceptor1
DAR-DIA-5ff57136-9
0.794
MAT-POS-9db1e783-3
0.794
VLA-UCB-50c39ae8-7
0.755
MAT-POS-090737b9-1
0.755
VLA-UCB-05e51b3f-10
0.755
DAR-DIA-5ff57136-11
0.732
VLA-UCB-50c39ae8-1
0.713
VLA-UCB-05e51b3f-4
0.713
VLA-UNK-5c5a631c-3
0.704
VLA-UCB-50c39ae8-6
0.691
VLA-UCB-05e51b3f-9
0.691
MAK-UNK-3875bbc8-2
0.656
WIL-UCB-7ba4ac3a-2
0.656
VLA-UCB-34f3ed0c-1
0.641
VLA-UCB-34f3ed0c-19
0.641
VLA-UCB-34f3ed0c-20
0.635
VLA-UCB-05e51b3f-7
0.627
VLA-UCB-50c39ae8-4
0.627
DAR-DIA-5ff57136-14
0.612
DAR-DIA-5ff57136-16
0.600
DAR-DIA-b4e9dd8d-1
0.598
DAR-DIA-b4e9dd8d-6
0.598
DAR-DIA-b4e9dd8d-3
0.598
PET-UNK-064639eb-3
0.598
PET-UNK-064639eb-6
0.598
VLA-UNK-5c5a631c-2
0.594
DAR-DIA-5ff57136-13
0.590
VLA-UNK-4b5c0188-1
0.590
ALP-UNI-44c99a80-2
0.587
DAR-DIA-5ff57136-18
0.581
ALP-UNI-44c99a80-3
0.578
DAR-DIA-5ff57136-17
0.574
JOH-UNI-ea72002d-6
0.574
DAR-DIA-5ff57136-15
0.570
JOH-UNI-ea72002d-7
0.570
MAK-UNK-83e0a0b4-3
0.566
DAR-DIA-5ff57136-10
0.565
JOH-UNI-ea72002d-1
0.565
NIR-THE-47736cde-2
0.558
NIR-THE-47736cde-1
0.558
MAT-POS-e69ad64a-2
0.558
DAR-DIA-5ff57136-12
0.553
VLA-UNK-5c5a631c-1
0.549
DAR-DIA-6a508060-1
0.519
NIR-THE-af15c15d-1
0.514
DAR-DIA-b4e9dd8d-5
0.513
DAR-DIA-b4e9dd8d-2
0.513
DAR-DIA-b4e9dd8d-4
0.513
MAT-POS-b3e365b9-1
0.510
MAT-POS-b3e365b9-2
0.510
MAT-POS-f7918075-1
0.510
VLA-UCB-1dbca3b4-15
0.510
MAK-UNK-3875bbc8-1
0.505
DAR-DIA-076fb6ea-11
0.500
ALF-EVA-a24cc7ce-2
0.500
NIR-THE-2069301b-1
0.495
DAR-DIA-5ff57136-2
0.491
DAR-DIA-5ff57136-1
0.491
DAR-DIA-6a508060-2
0.491
MAT-POS-e69ad64a-1
0.486
ALF-EVA-5b152d2f-4
0.481
ADA-UCB-dc2b944c-10
0.477
FRA-DIA-a1f3a927-1
0.468
NIR-WEI-acbd6416-2
0.468
JOH-UNI-21fd6073-3
0.460
MAK-UNK-3875bbc8-3
0.453
BEN-DND-d1eb1f41-17
0.451
JOH-UNI-f51e3bbc-3
0.450
ALF-EVA-5b152d2f-6
0.446
JOH-UNI-ea72002d-3
0.444
ALF-EVA-5b152d2f-1
0.441
ALP-POS-6d96567b-2
0.440
JOH-UNI-f51e3bbc-4
0.439
ADA-UCB-dc2b944c-9
0.438
JOH-UNI-ea72002d-4
0.437
EDG-MED-5d232de5-2
0.436
ALP-POS-696356e4-1
0.436
ALP-POS-ce760d3f-7
0.436
EDG-MED-5d232de5-1
0.436
EDJ-MED-12c115cc-1
0.430
MAT-POS-bbbbc21a-2
0.430
MAT-POS-f7918075-2
0.430
EDJ-MED-12c115cc-2
0.430
BEN-DND-c852c98b-1
0.430
PET-UNK-6314f867-1
0.430
JOH-UNI-1b27fa5e-2
0.429
NIR-THE-5be8b355-1
0.425
MAT-POS-f9802937-7
0.421
PET-UNK-ee8352fa-4
0.421
PET-UNK-e274cad4-7
0.420
ALF-EVA-a24cc7ce-6
0.420
LON-WEI-0a73fcb8-5
0.417
ALP-POS-a0a4abd7-8
0.417
MAK-UNK-8be7dca9-9
0.416
PET-UNK-03fd2068-1
0.416
ALF-EVA-5b152d2f-2
0.416
ALP-POS-a0a4abd7-9
0.415
JAG-UCB-571deb56-5
0.415
JOH-UNI-21fd6073-4
0.415
ALP-POS-a0a4abd7-6
0.414