Molecular Properties | |
SMILES: | C#CC(=O)N(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 348.07 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 50.27 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
activated_acetylene
acyclic_imide
triple bond
Filter43_michael_acceptor_sp1
alkynyl michael acceptor2
triple_bond
DAR-DIA-076fb6ea-3
VLA-UCB-05e51b3f-17
0.730
VLA-UCB-05e51b3f-15
0.730
PET-UNK-6c2be958-1
0.730
VLA-UCB-05e51b3f-16
0.692
PET-UNK-12d8d43f-2
0.692
JOH-UNI-a38a7bdd-1
0.692
DAR-DIA-076fb6ea-1
0.692
DAR-DIA-076fb6ea-8
0.688
DAR-DIA-56cf811e-3
0.683
JOH-UNI-a38a7bdd-5
0.651
DAR-DIA-56cf811e-5
0.643
PET-UNK-12d8d43f-1
0.641
MAT-POS-bb423b95-7
0.636
JOH-UNI-a38a7bdd-6
0.628
PET-UNK-5ecb6237-1
0.625
DAR-DIA-076fb6ea-3
0.621
DAR-DIA-076fb6ea-11
0.621
PET-UNK-a692de38-1
0.610
DAR-DIA-076fb6ea-15
0.602
JOH-UNI-50ce7ec3-2
0.598
NAU-LAT-4ce8bf23-2
0.595
JOH-UNI-a38a7bdd-2
0.590
DAR-DIA-076fb6ea-12
0.585
DAR-DIA-076fb6ea-5
0.581
JOH-UNI-50ce7ec3-1
0.576
ALP-UNI-44c99a80-1
0.568
ALP-UNI-44c99a80-4
0.562
DAR-DIA-56cf811e-2
0.556
DAR-DIA-076fb6ea-9
0.526
MAT-POS-e69ad64a-3
0.506
JOH-UNI-3fc3434e-5
0.484
JOH-UNI-ee5ed7c8-5
0.484
PET-UNK-e8c7a26f-1
0.471
ADA-UCB-6c2cb422-1
0.470
MIC-UNK-67d4a29a-1
0.448
DAR-DIA-6a49afbe-1
0.447
MIC-UNK-67d4a29a-2
0.433
JOH-UNI-ee5ed7c8-9
0.430
JOH-UNI-3fc3434e-9
0.430
MIC-UNK-67d4a29a-4
0.429
JOH-UNI-3fc3434e-13
0.424
JOH-UNI-ee5ed7c8-13
0.424
MIC-UNK-67d4a29a-3
0.422
JOH-UNI-ee5ed7c8-7
0.421
JOH-UNI-3fc3434e-7
0.421
ALF-EVA-a24cc7ce-7
0.414
ALP-POS-b3306dea-1
0.410
MAT-POS-3cc264b0-1
0.409
EDJ-MED-50fe53e8-1
0.409
PET-UNK-e8c7a26f-2
0.407
ALP-POS-75715966-2
0.404
JOH-UNI-3fc3434e-10
0.402
JOH-UNI-ee5ed7c8-10
0.402
VLA-UCB-05e51b3f-9
0.402
VLA-UCB-50c39ae8-6
0.402
DAR-DIA-6a49afbe-4
0.400
NIR-THE-af15c15d-1
0.398
DAR-DIA-076fb6ea-7
0.398
ALP-POS-76eab5ce-2
0.398
JOH-UNI-ee5ed7c8-8
0.396
JOH-UNI-3fc3434e-8
0.396
JOH-UNI-6fede743-4
0.393
NIR-THE-2069301b-1
0.392
JOH-UNI-3fc3434e-12
0.390
JOH-UNI-ee5ed7c8-12
0.390
PET-UNK-bbe8d7ff-2
0.389
RUB-POS-1325a9ea-18
0.389
ALP-POS-f13221e1-3
0.389
MAT-POS-6c284e65-1
0.388
ALP-POS-c3a96089-3
0.387
DAR-DIA-56cf811e-4
0.385
JOH-UNI-a38a7bdd-3
0.385
JOH-UNI-6fede743-2
0.385
DAR-DIA-076fb6ea-2
0.385
EDG-MED-0da5ad92-1
0.384
JAN-GHE-83b26c96-15
0.384
JOH-UNI-50ce7ec3-4
0.383
JOH-UNI-ee5ed7c8-1
0.379
JOH-UNI-3fc3434e-1
0.379
VLA-UNK-5c5a631c-3
0.377
MAT-POS-6c284e65-2
0.377
ALP-POS-c3a96089-4
0.377
MAT-POS-f7918075-5
0.374
VLA-UCB-05e51b3f-4
0.373
VLA-UCB-50c39ae8-1
0.373
MAT-POS-90fd5f68-19
0.372
MAT-POS-90fd5f68-21
0.371
DAR-DIA-56cf811e-6
0.371
VLA-UCB-34f3ed0c-19
0.370
JIN-POS-6dc588a4-11
0.370
DAR-DIA-076fb6ea-16
0.370
DAR-DIA-5ff57136-5
0.369
MAT-POS-e69ad64a-2
0.369
DAR-DIA-5ff57136-7
0.369
NIR-THE-47736cde-1
0.369
NIR-THE-47736cde-2
0.369
MAT-POS-90fd5f68-25
0.368
PET-UNK-d899bab6-1
0.368
ALP-POS-76eab5ce-1
0.367
RUB-POS-1325a9ea-4
0.366