Molecular Properties | |
SMILES: | COC(=O)/C=C/C(=O)N(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 408.09 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 76.57 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
DAR-DIA-5ff57136-1
DAR-DIA-56cf811e-3
0.750
DAR-DIA-076fb6ea-11
0.744
DAR-DIA-56cf811e-5
0.729
DAR-DIA-076fb6ea-1
0.720
VLA-UCB-05e51b3f-16
0.720
PET-UNK-12d8d43f-2
0.699
DAR-DIA-076fb6ea-8
0.694
VLA-UCB-05e51b3f-17
0.671
PET-UNK-6c2be958-1
0.651
VLA-UCB-05e51b3f-15
0.651
DAR-DIA-076fb6ea-12
0.646
DAR-DIA-56cf811e-1
0.621
JOH-UNI-a38a7bdd-1
0.621
MAT-POS-bb423b95-7
0.607
DAR-DIA-076fb6ea-4
0.607
JOH-UNI-a38a7bdd-5
0.587
PET-UNK-12d8d43f-1
0.575
JOH-UNI-a38a7bdd-6
0.568
PET-UNK-a692de38-1
0.567
PET-UNK-5ecb6237-1
0.562
JOH-UNI-a38a7bdd-2
0.549
JOH-UNI-50ce7ec3-2
0.538
JOH-UNI-50ce7ec3-1
0.538
ALP-UNI-44c99a80-1
0.531
DAR-DIA-076fb6ea-15
0.527
DAR-DIA-076fb6ea-5
0.526
ALP-UNI-44c99a80-4
0.526
MAT-POS-e69ad64a-3
0.522
NAU-LAT-4ce8bf23-2
0.521
PET-UNK-e8c7a26f-1
0.505
DAR-DIA-b4e9dd8d-2
0.500
DAR-DIA-b4e9dd8d-3
0.500
DAR-DIA-b4e9dd8d-4
0.500
DAR-DIA-b4e9dd8d-6
0.500
DAR-DIA-b4e9dd8d-1
0.500
DAR-DIA-b4e9dd8d-5
0.500
DAR-DIA-5ff57136-9
0.486
MAT-POS-9db1e783-3
0.486
DAR-DIA-076fb6ea-9
0.481
ADA-UCB-6c2cb422-1
0.456
DAR-DIA-56cf811e-4
0.449
MIC-UNK-67d4a29a-4
0.448
DAR-DIA-6a49afbe-1
0.435
DAR-DIA-56cf811e-6
0.434
DAR-DIA-076fb6ea-13
0.430
MIC-UNK-67d4a29a-2
0.423
DAR-DIA-076fb6ea-2
0.421
MIC-UNK-67d4a29a-1
0.421
DAR-DIA-076fb6ea-7
0.418
JOH-UNI-ee5ed7c8-13
0.414
JOH-UNI-3fc3434e-13
0.414
MIC-UNK-67d4a29a-3
0.412
JOH-UNI-ee5ed7c8-9
0.406
JOH-UNI-3fc3434e-9
0.406
ALP-POS-76eab5ce-2
0.404
JOH-UNI-3fc3434e-5
0.398
JOH-UNI-ee5ed7c8-5
0.398
JOH-UNI-3fc3434e-10
0.394
JOH-UNI-ee5ed7c8-10
0.394
PET-UNK-8df914d1-1
0.394
EDJ-MED-00c1612e-1
0.394
EDG-MED-0da5ad92-1
0.391
JAN-GHE-83b26c96-15
0.391
DAR-DIA-076fb6ea-14
0.391
ALF-EVA-a24cc7ce-7
0.389
ALP-POS-b3306dea-1
0.389
JOH-UNI-6fede743-4
0.385
PET-UNK-e274cad4-6
0.385
MAT-POS-3cc264b0-1
0.385
EDJ-MED-50fe53e8-1
0.385
JOH-UNI-ee5ed7c8-7
0.385
JOH-UNI-3fc3434e-7
0.385
MAT-POS-6c284e65-2
0.384
ALP-POS-c3a96089-4
0.384
ALP-POS-75715966-2
0.383
PET-UNK-e8c7a26f-2
0.383
MAT-POS-90fd5f68-39
0.382
ALP-POS-f13221e1-3
0.381
ALP-POS-c3a96089-3
0.381
MAT-POS-90fd5f68-25
0.376
PET-UNK-d899bab6-1
0.376
MIC-UNK-50cce87d-4
0.374
RUB-POS-1325a9ea-9
0.374
RUB-POS-1325a9ea-4
0.374
JIN-POS-6dc588a4-18
0.374
DAR-DIA-5ff57136-19
0.373
MAT-POS-c20a539d-2
0.370
MAT-POS-6c284e65-1
0.369
MAT-POS-f7918075-5
0.367
RUB-POS-1325a9ea-18
0.367
EDJ-MED-c5ca5386-1
0.367
DAR-DIA-6a49afbe-4
0.367
JAN-GHE-d851b096-1
0.366
MAT-POS-90fd5f68-21
0.365
JIN-POS-6dc588a4-11
0.364
JOH-UNI-a38a7bdd-3
0.364
JOH-UNI-6fede743-2
0.364
DAR-DIA-56cf811e-2
0.364
PET-UNK-6314f867-2
0.363
MAT-POS-90fd5f68-22
0.363