Molecular Properties | |
SMILES: | CC(=O)N(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 338.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 50.27 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
VLA-UCB-05e51b3f-15
0.771
PET-UNK-6c2be958-1
0.771
PET-UNK-12d8d43f-2
0.753
VLA-UCB-05e51b3f-16
0.730
DAR-DIA-56cf811e-1
0.730
DAR-DIA-076fb6ea-1
0.730
JOH-UNI-a38a7bdd-1
0.730
DAR-DIA-076fb6ea-8
0.701
MAT-POS-bb423b95-7
0.694
JOH-UNI-a38a7bdd-5
0.684
PET-UNK-5ecb6237-1
0.680
DAR-DIA-56cf811e-3
0.675
DAR-DIA-56cf811e-5
0.675
DAR-DIA-076fb6ea-3
0.671
DAR-DIA-076fb6ea-11
0.671
JOH-UNI-a38a7bdd-6
0.659
PET-UNK-12d8d43f-1
0.653
JOH-UNI-50ce7ec3-2
0.649
JOH-UNI-50ce7ec3-1
0.625
PET-UNK-a692de38-1
0.620
JOH-UNI-a38a7bdd-2
0.620
DAR-DIA-076fb6ea-15
0.613
DAR-DIA-076fb6ea-5
0.610
NAU-LAT-4ce8bf23-2
0.605
ALP-UNI-44c99a80-1
0.595
DAR-DIA-076fb6ea-12
0.593
ALP-UNI-44c99a80-4
0.588
DAR-DIA-076fb6ea-9
0.548
MAT-POS-e69ad64a-3
0.512
PET-UNK-e8c7a26f-1
0.494
ADA-UCB-6c2cb422-1
0.494
MIC-UNK-67d4a29a-4
0.482
MIC-UNK-67d4a29a-2
0.471
MIC-UNK-67d4a29a-1
0.470
DAR-DIA-6a49afbe-1
0.469
JOH-UNI-ee5ed7c8-13
0.460
JOH-UNI-3fc3434e-13
0.460
MIC-UNK-67d4a29a-3
0.459
ALF-EVA-a24cc7ce-7
0.451
JOH-UNI-ee5ed7c8-9
0.449
JOH-UNI-3fc3434e-9
0.449
JOH-UNI-3fc3434e-5
0.440
JOH-UNI-3fc3434e-7
0.440
JOH-UNI-ee5ed7c8-5
0.440
JOH-UNI-ee5ed7c8-7
0.440
JOH-UNI-3fc3434e-10
0.435
JOH-UNI-ee5ed7c8-10
0.435
VLA-UCB-05e51b3f-4
0.432
VLA-UCB-50c39ae8-1
0.432
ALP-POS-75715966-2
0.421
EDG-MED-0da5ad92-1
0.420
JAN-GHE-83b26c96-15
0.420
JOH-UNI-a38a7bdd-3
0.419
DAR-DIA-56cf811e-2
0.419
DAR-DIA-076fb6ea-2
0.419
DAR-DIA-6a49afbe-4
0.417
ALP-POS-76eab5ce-2
0.417
ALP-POS-c3a96089-3
0.416
DAR-DIA-076fb6ea-7
0.416
JOH-UNI-50ce7ec3-4
0.416
ALP-POS-b3306dea-1
0.412
EDJ-MED-50fe53e8-1
0.412
JOH-UNI-6fede743-4
0.412
MAT-POS-3cc264b0-1
0.412
PET-UNK-e8c7a26f-2
0.410
RUB-POS-1325a9ea-18
0.407
ALP-POS-f13221e1-3
0.407
MAT-POS-6c284e65-2
0.406
ALP-POS-c3a96089-4
0.406
PET-UNK-8df914d1-1
0.404
EDJ-MED-00c1612e-1
0.404
VLA-UCB-05e51b3f-9
0.404
MAT-POS-6c284e65-1
0.404
VLA-UCB-50c39ae8-6
0.404
JOH-UNI-6fede743-2
0.402
DAR-DIA-56cf811e-6
0.402
PET-UNK-d899bab6-1
0.400
MAT-POS-90fd5f68-22
0.400
NIR-THE-af15c15d-1
0.400
MAT-POS-90fd5f68-25
0.400
JOH-UNI-ee5ed7c8-8
0.398
JOH-UNI-3fc3434e-8
0.398
RUB-POS-1325a9ea-4
0.398
NIR-THE-2069301b-1
0.394
JOH-UNI-50ce7ec3-3
0.394
JOH-UNI-a38a7bdd-7
0.394
MAT-POS-f7918075-5
0.391
PET-UNK-bbe8d7ff-1
0.391
PET-UNK-bbe8d7ff-2
0.391
BAR-COM-ebf5acce-5
0.389
JAN-GHE-d851b096-1
0.389
DAR-DIA-56cf811e-4
0.387
MAT-POS-90fd5f68-21
0.387
MAT-POS-90fd5f68-35
0.387
JOH-UNI-a38a7bdd-4
0.386
DAR-DIA-076fb6ea-16
0.386
JIN-POS-6dc588a4-11
0.386
NIR-THE-47736cde-1
0.384
MAT-POS-e69ad64a-2
0.384
NIR-THE-47736cde-2
0.384