Molecular Properties | |
SMILES: | N#C/C=C/C(=O)N(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 375.08 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 74.06 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
conjugated nitrile group
Acrylonitriles
Activated double bonds (2)
vinyl michael acceptor1
DAR-DIA-076fb6ea-3
DAR-DIA-56cf811e-5
0.756
DAR-DIA-076fb6ea-11
0.750
DAR-DIA-076fb6ea-3
0.750
DAR-DIA-076fb6ea-1
0.747
VLA-UCB-05e51b3f-16
0.747
DAR-DIA-076fb6ea-8
0.741
DAR-DIA-56cf811e-1
0.683
VLA-UCB-05e51b3f-15
0.675
PET-UNK-6c2be958-1
0.675
VLA-UCB-05e51b3f-17
0.675
DAR-DIA-076fb6ea-12
0.667
JOH-UNI-a38a7bdd-1
0.663
PET-UNK-12d8d43f-2
0.643
PET-UNK-5ecb6237-1
0.619
PET-UNK-12d8d43f-1
0.614
JOH-UNI-a38a7bdd-5
0.607
PET-UNK-a692de38-1
0.605
DAR-DIA-56cf811e-4
0.598
MAT-POS-bb423b95-7
0.590
JOH-UNI-a38a7bdd-6
0.587
DAR-DIA-076fb6ea-5
0.578
DAR-DIA-076fb6ea-15
0.562
JOH-UNI-50ce7ec3-2
0.557
JOH-UNI-50ce7ec3-1
0.556
JOH-UNI-a38a7bdd-2
0.551
MAT-POS-e69ad64a-3
0.539
NAU-LAT-4ce8bf23-2
0.538
ALP-UNI-44c99a80-1
0.532
ALP-UNI-44c99a80-4
0.526
PET-UNK-e8c7a26f-1
0.523
DAR-DIA-076fb6ea-9
0.495
ADA-UCB-6c2cb422-1
0.438
DAR-DIA-6a49afbe-1
0.433
DAR-DIA-56cf811e-6
0.433
JOH-UNI-3fc3434e-9
0.433
JOH-UNI-ee5ed7c8-9
0.433
DAR-DIA-076fb6ea-7
0.432
DAR-DIA-076fb6ea-4
0.429
DAR-DIA-076fb6ea-13
0.429
JOH-UNI-3fc3434e-7
0.424
JOH-UNI-ee5ed7c8-7
0.424
DAR-DIA-076fb6ea-2
0.419
MIC-UNK-67d4a29a-4
0.417
MIC-UNK-67d4a29a-2
0.406
MIC-UNK-67d4a29a-1
0.404
JOH-UNI-3fc3434e-8
0.400
JOH-UNI-ee5ed7c8-8
0.400
JOH-UNI-ee5ed7c8-13
0.398
JOH-UNI-3fc3434e-13
0.398
JOH-UNI-ee5ed7c8-5
0.396
JOH-UNI-3fc3434e-5
0.396
MIC-UNK-67d4a29a-3
0.396
PET-UNK-e8c7a26f-2
0.396
DAR-DIA-076fb6ea-14
0.389
MAT-POS-c20a539d-5
0.388
PET-UNK-6314f867-2
0.388
ALF-EVA-a24cc7ce-7
0.387
ALP-POS-76eab5ce-2
0.387
ALP-POS-b3306dea-1
0.387
JOH-UNI-3fc3434e-2
0.385
JOH-UNI-ee5ed7c8-2
0.385
DAR-DIA-5ff57136-19
0.383
PET-UNK-6314f867-3
0.381
ALP-POS-75715966-2
0.381
DAR-DIA-b4e9dd8d-1
0.381
DAR-DIA-b4e9dd8d-6
0.381
DAR-DIA-b4e9dd8d-3
0.381
VLA-UCB-05e51b3f-9
0.380
VLA-UCB-50c39ae8-6
0.380
PET-UNK-bbe8d7ff-2
0.379
JOH-UNI-3fc3434e-10
0.379
JOH-UNI-ee5ed7c8-10
0.379
JOH-UNI-a38a7bdd-3
0.375
DAR-DIA-56cf811e-2
0.375
DAR-DIA-5ff57136-5
0.374
DAR-DIA-5ff57136-7
0.374
NIR-THE-47736cde-1
0.374
NIR-THE-47736cde-2
0.374
MAT-POS-e69ad64a-2
0.374
EDG-MED-0da5ad92-1
0.374
JAN-GHE-83b26c96-15
0.374
MAT-POS-9db1e783-3
0.371
DAR-DIA-5ff57136-9
0.371
VLA-UNK-5c5a631c-3
0.369
EDJ-MED-50fe53e8-1
0.368
DAR-DIA-b4e9dd8d-5
0.368
DAR-DIA-b4e9dd8d-2
0.368
DAR-DIA-b4e9dd8d-4
0.368
JOH-UNI-6fede743-4
0.368
MAT-POS-3cc264b0-1
0.368
MAT-POS-6c284e65-1
0.367
DAR-DIA-5ff57136-11
0.366
ALP-POS-c3a96089-3
0.366
RUB-POS-1325a9ea-18
0.365
ALP-POS-f13221e1-3
0.365
JIN-POS-6dc588a4-24
0.365
DAR-DIA-6a49afbe-4
0.364
JAN-GHE-d851b096-1
0.364
MAT-POS-090737b9-1
0.364
NIR-THE-af15c15d-1
0.364