Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)Cc1cccc(Cl)c1)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
DAR-DIA-5ff57136-1
DAR-DIA-076fb6ea-1
1.000
DAR-DIA-076fb6ea-8
0.800
DAR-DIA-56cf811e-5
0.769
DAR-DIA-56cf811e-3
0.747
VLA-UCB-05e51b3f-17
0.730
VLA-UCB-05e51b3f-15
0.730
PET-UNK-6c2be958-1
0.730
MAT-POS-e69ad64a-3
0.724
DAR-DIA-076fb6ea-11
0.720
DAR-DIA-076fb6ea-3
0.720
PET-UNK-e8c7a26f-1
0.707
DAR-DIA-56cf811e-1
0.692
PET-UNK-12d8d43f-2
0.692
JOH-UNI-a38a7bdd-1
0.692
PET-UNK-12d8d43f-1
0.662
DAR-DIA-076fb6ea-12
0.656
JOH-UNI-a38a7bdd-5
0.651
MAT-POS-bb423b95-7
0.636
JOH-UNI-50ce7ec3-1
0.634
JOH-UNI-a38a7bdd-6
0.628
PET-UNK-5ecb6237-1
0.605
JOH-UNI-50ce7ec3-2
0.598
PET-UNK-a692de38-1
0.590
JOH-UNI-a38a7bdd-2
0.590
DAR-DIA-076fb6ea-15
0.583
NAU-LAT-4ce8bf23-2
0.576
ALP-UNI-44c99a80-1
0.568
DAR-DIA-076fb6ea-5
0.563
ALP-UNI-44c99a80-4
0.562
DAR-DIA-076fb6ea-2
0.556
PET-UNK-e8c7a26f-2
0.532
DAR-DIA-076fb6ea-9
0.510
VLA-UNK-82501c2c-3
0.489
ADA-UCB-6c2cb422-1
0.488
DAR-DIA-6a49afbe-1
0.464
DAR-DIA-076fb6ea-7
0.461
MAT-POS-e69ad64a-1
0.455
DAR-DIA-5ff57136-5
0.454
DAR-DIA-5ff57136-7
0.454
NIR-THE-47736cde-1
0.454
NIR-THE-47736cde-2
0.454
MAT-POS-e69ad64a-2
0.454
DAR-DIA-56cf811e-6
0.446
VLA-UCB-05e51b3f-10
0.440
MAT-POS-090737b9-1
0.440
VLA-UCB-50c39ae8-7
0.440
MIC-UNK-67d4a29a-2
0.433
MIC-UNK-67d4a29a-1
0.432
DAR-DIA-5ff57136-2
0.431
DAR-DIA-5ff57136-1
0.431
DAR-DIA-56cf811e-4
0.430
MIC-UNK-67d4a29a-4
0.429
MAT-POS-3cc264b0-1
0.425
EDJ-MED-50fe53e8-1
0.425
JOH-UNI-3fc3434e-13
0.424
JOH-UNI-ee5ed7c8-13
0.424
MIC-UNK-67d4a29a-3
0.422
JAN-GHE-d851b096-1
0.418
JOH-UNI-3fc3434e-9
0.415
JOH-UNI-ee5ed7c8-9
0.415
ALP-POS-76eab5ce-2
0.414
ALF-EVA-a24cc7ce-7
0.414
DAR-DIA-076fb6ea-4
0.411
DAR-DIA-076fb6ea-13
0.411
ALP-POS-b3306dea-1
0.410
JOH-UNI-6fede743-4
0.409
JOH-UNI-50ce7ec3-3
0.406
JOH-UNI-ee5ed7c8-5
0.406
JOH-UNI-ee5ed7c8-7
0.406
JOH-UNI-3fc3434e-7
0.406
JOH-UNI-3fc3434e-5
0.406
RUB-POS-1325a9ea-18
0.404
ALP-POS-75715966-2
0.404
JOH-UNI-3fc3434e-10
0.402
JOH-UNI-ee5ed7c8-10
0.402
MAT-POS-6c284e65-1
0.402
JIN-POS-6dc588a4-11
0.400
ALP-POS-c3a96089-3
0.400
JOH-UNI-6fede743-2
0.400
JOH-UNI-3fc3434e-8
0.396
JOH-UNI-ee5ed7c8-8
0.396
ALP-POS-f13221e1-3
0.389
MAT-POS-f7918075-5
0.389
VLA-UCB-05e51b3f-9
0.388
VLA-UCB-50c39ae8-6
0.388
DAR-DIA-6a49afbe-4
0.386
DAR-DIA-076fb6ea-14
0.385
JOH-UNI-a38a7bdd-3
0.385
DAR-DIA-56cf811e-2
0.385
JAN-GHE-83b26c96-15
0.384
EDG-MED-0da5ad92-1
0.384
MAT-POS-90fd5f68-25
0.383
MAT-POS-c20a539d-5
0.383
PET-UNK-6314f867-2
0.383
PET-UNK-d899bab6-1
0.383
JOH-UNI-50ce7ec3-4
0.383
RUB-POS-1325a9ea-4
0.380
MAT-POS-90fd5f68-40
0.380
JOH-UNI-3fc3434e-11
0.379
JOH-UNI-ee5ed7c8-11
0.379