Molecular Properties | |
SMILES: | COC(=O)/C=C/C(=O)N(C(=O)C1COc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 436.08 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 85.8 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
DAR-DIA-b4e9dd8d-1
1.000
DAR-DIA-b4e9dd8d-6
1.000
DAR-DIA-5ff57136-9
0.763
MAT-POS-9db1e783-3
0.763
MAT-POS-e69ad64a-2
0.747
NIR-THE-47736cde-1
0.747
NIR-THE-47736cde-2
0.747
DAR-DIA-b4e9dd8d-2
0.663
DAR-DIA-b4e9dd8d-4
0.663
DAR-DIA-b4e9dd8d-5
0.663
NIR-THE-af15c15d-1
0.653
NIR-THE-2069301b-1
0.649
ALF-EVA-a24cc7ce-2
0.628
JOH-UNI-21fd6073-3
0.620
DAR-DIA-5ff57136-19
0.598
MAT-POS-090737b9-1
0.558
VLA-UCB-50c39ae8-7
0.558
VLA-UCB-05e51b3f-10
0.558
EDJ-MED-12c115cc-1
0.546
EDJ-MED-12c115cc-2
0.546
MAT-POS-bbbbc21a-2
0.546
MAT-POS-f7918075-2
0.546
DAR-DIA-5ff57136-11
0.542
VLA-UCB-05e51b3f-4
0.534
VLA-UCB-50c39ae8-1
0.534
DAR-DIA-5ff57136-2
0.533
DAR-DIA-5ff57136-1
0.533
JOH-UNI-21fd6073-4
0.527
VLA-UCB-50c39ae8-6
0.519
VLA-UCB-05e51b3f-9
0.519
VLA-UNK-5c5a631c-3
0.505
DAR-DIA-076fb6ea-3
0.500
WIL-UCB-7ba4ac3a-2
0.486
MAK-UNK-3875bbc8-2
0.486
VLA-UCB-34f3ed0c-19
0.482
VLA-UCB-34f3ed0c-1
0.482
DAR-DIA-5ff57136-14
0.482
PET-UNK-064639eb-6
0.481
PET-UNK-064639eb-3
0.481
VLA-UCB-34f3ed0c-20
0.478
JOH-UNI-ea72002d-6
0.478
JOH-UNI-ea72002d-7
0.473
JOH-UNI-21fd6073-2
0.472
JOH-UNI-21fd6073-1
0.468
VLA-UCB-05e51b3f-7
0.467
VLA-UCB-50c39ae8-4
0.467
MAR-UCB-6ab2ec87-5
0.462
DAR-DIA-5ff57136-10
0.456
ALP-UNI-44c99a80-2
0.453
VLA-UNK-4b5c0188-1
0.451
DAR-DIA-5ff57136-16
0.447
MAT-POS-e69ad64a-1
0.446
ALP-UNI-44c99a80-3
0.444
VLA-UNK-5c5a631c-2
0.443
DAR-DIA-5ff57136-18
0.442
VLA-UCB-1dbca3b4-15
0.439
MAT-POS-b3e365b9-1
0.439
MAT-POS-b3e365b9-2
0.439
MAT-POS-f7918075-1
0.439
DAR-DIA-5ff57136-13
0.439
MAK-UNK-83e0a0b4-3
0.438
DAR-DIA-5ff57136-12
0.438
BEN-BAS-5c03e89e-1
0.436
DAR-DIA-5ff57136-15
0.435
ERI-UCB-b3e6b0c2-7
0.435
MAT-POS-8a69d52e-4
0.431
EDJ-MED-e4b030d8-11
0.431
ADA-UCB-dc2b944c-13
0.431
MAT-POS-8a69d52e-5
0.431
MAT-POS-8a69d52e-6
0.431
MAT-POS-8a69d52e-7
0.431
BRU-THA-01b12488-1
0.431
ADA-UCB-dc2b944c-15
0.431
ADA-UCB-dc2b944c-16
0.431
DAR-DIA-0d514e7d-3
0.431
MAT-POS-2e8b2191-2
0.431
ADA-UCB-dc2b944c-14
0.431
JOH-UNI-ea72002d-1
0.431
ALF-EVA-a24cc7ce-1
0.430
ALF-EVA-ced740bd-4
0.429
DAR-DIA-5ff57136-17
0.427
ALP-POS-d3acb8cc-4
0.427
EDJ-MED-e4b030d8-2
0.427
ALP-POS-d3acb8cc-1
0.427
ALF-EVA-5b152d2f-1
0.427
MAT-POS-8a69d52e-1
0.427
MAT-POS-8a69d52e-2
0.427
MAT-POS-8a69d52e-3
0.427
ALF-EVA-5b152d2f-4
0.427
EDJ-MED-e4b030d8-3
0.427
ALP-POS-d3acb8cc-2
0.427
ALP-POS-d3acb8cc-3
0.427
ERI-UCB-b3e6b0c2-15
0.422
DAR-DIA-6a508060-1
0.422
ALF-EVA-5b152d2f-6
0.420
PET-UNK-c0891748-12
0.418
PET-UNK-c0891748-6
0.418
ERI-UCB-b3e6b0c2-1
0.414
ALF-EVA-a24cc7ce-4
0.413
MAK-UNK-8be7dca9-10
0.411