Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)Cc1ccc(Cl)cc1)c1cncc2ccccc12 |
MW: | 350.08 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 4.18 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
MAT-POS-e69ad64a-3
0.716
DAR-DIA-076fb6ea-1
0.707
VLA-UCB-05e51b3f-16
0.707
DAR-DIA-076fb6ea-8
0.560
DAR-DIA-56cf811e-5
0.540
DAR-DIA-56cf811e-3
0.523
DAR-DIA-076fb6ea-3
0.505
DAR-DIA-076fb6ea-11
0.505
PET-UNK-6c2be958-1
0.494
VLA-UCB-05e51b3f-17
0.494
VLA-UCB-05e51b3f-15
0.494
VLA-UNK-82501c2c-3
0.477
DAR-DIA-5ff57136-7
0.473
NIR-THE-47736cde-1
0.473
NIR-THE-47736cde-2
0.473
MAT-POS-e69ad64a-2
0.473
PET-UNK-12d8d43f-2
0.471
DAR-DIA-56cf811e-1
0.471
JOH-UNI-a38a7bdd-1
0.471
DAR-DIA-076fb6ea-12
0.465
PET-UNK-12d8d43f-1
0.459
VLA-UCB-50c39ae8-7
0.458
VLA-UCB-05e51b3f-10
0.458
MAT-POS-e69ad64a-1
0.458
MAT-POS-090737b9-1
0.458
DAR-DIA-5ff57136-5
0.457
DAR-DIA-5ff57136-2
0.449
DAR-DIA-5ff57136-1
0.449
JOH-UNI-a38a7bdd-5
0.446
JOH-UNI-50ce7ec3-1
0.444
JOH-UNI-a38a7bdd-2
0.438
RAL-THA-2d450e86-2
0.438
MAT-POS-bb423b95-7
0.435
JOH-UNI-a38a7bdd-6
0.432
ALP-UNI-44c99a80-4
0.421
ALF-EVA-a24cc7ce-7
0.417
PET-UNK-5ecb6237-1
0.416
NAU-LAT-4ce8bf23-2
0.413
JOH-UNI-50ce7ec3-2
0.411
ALP-UNI-44c99a80-1
0.411
PET-UNK-a692de38-1
0.407
DAR-DIA-076fb6ea-15
0.402
DAR-DIA-5ff57136-11
0.402
VLA-UNK-5c5a631c-3
0.392
VLA-UCB-05e51b3f-9
0.390
VLA-UCB-50c39ae8-6
0.390
DAR-DIA-076fb6ea-5
0.389
NIR-THE-2069301b-1
0.380
VLA-UCB-50c39ae8-1
0.374
VLA-UCB-05e51b3f-4
0.374
NIR-THE-af15c15d-1
0.373
VLA-UCB-34f3ed0c-19
0.371
DAR-DIA-5ff57136-19
0.367
DAR-DIA-b4e9dd8d-5
0.364
DAR-DIA-b4e9dd8d-1
0.364
DAR-DIA-b4e9dd8d-6
0.364
DAR-DIA-b4e9dd8d-2
0.364
DAR-DIA-b4e9dd8d-3
0.364
DAR-DIA-b4e9dd8d-4
0.364
VLA-UCB-34f3ed0c-1
0.358
VLA-UNK-5c5a631c-2
0.358
DAR-DIA-076fb6ea-9
0.358
RYA-UNI-14580791-1
0.357
MAK-UNK-c749d764-29
0.357
DAR-DIA-076fb6ea-2
0.356
MAT-POS-9db1e783-3
0.355
DAR-DIA-5ff57136-9
0.355
JOH-UNI-ee5ed7c8-7
0.351
ALF-EVA-a24cc7ce-2
0.351
JOH-UNI-3fc3434e-7
0.351
JOH-UNI-21fd6073-3
0.346
JOH-UNI-ea72002d-5
0.345
MAK-UNK-c749d764-28
0.344
MAK-UNK-c749d764-25
0.343
VLA-UCB-34f3ed0c-20
0.343
JOH-UNI-ea72002d-6
0.343
DAR-DIA-6a49afbe-9
0.341
RAL-THA-2d450e86-6
0.341
MAK-UNK-3875bbc8-2
0.340
WIL-UCB-7ba4ac3a-2
0.340
DAR-DIA-5ff57136-13
0.340
VLA-UNK-4b5c0188-1
0.340
VLA-UCB-05e51b3f-7
0.339
VLA-UCB-50c39ae8-4
0.339
LON-WEI-af038623-3
0.338
RAL-THA-2d450e86-7
0.337
DAR-DIA-6a49afbe-1
0.337
ALP-UNI-44c99a80-3
0.336
ALP-UNI-44c99a80-2
0.333
MAK-UNK-83e0a0b4-3
0.333
JOH-UNI-21fd6073-4
0.330
DAR-DIA-5ff57136-17
0.330
MAK-UNK-c749d764-18
0.330
NIR-WEI-f9286bb6-1
0.330
MAK-UNK-c749d764-5
0.330
PET-UNK-e8c7a26f-2
0.330
PET-UNK-064639eb-2
0.327
PET-UNK-064639eb-5
0.327
PET-UNK-064639eb-4
0.327
PET-UNK-064639eb-6
0.327