Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N(C(=O)C1CC1F)c1cncc2ccccc12 |
MW: | 382.09 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 4.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Beta halo carbonyl
JOH-UNI-a38a7bdd-6
0.812
VLA-UCB-05e51b3f-15
0.684
PET-UNK-6c2be958-1
0.684
VLA-UCB-05e51b3f-17
0.684
PET-UNK-12d8d43f-2
0.671
JOH-UNI-a38a7bdd-1
0.671
DAR-DIA-56cf811e-1
0.651
VLA-UCB-05e51b3f-16
0.651
DAR-DIA-076fb6ea-1
0.651
DAR-DIA-076fb6ea-8
0.628
DAR-DIA-56cf811e-5
0.625
JOH-UNI-50ce7ec3-2
0.619
DAR-DIA-56cf811e-3
0.607
MAT-POS-bb423b95-7
0.598
DAR-DIA-076fb6ea-11
0.587
DAR-DIA-076fb6ea-3
0.587
PET-UNK-12d8d43f-1
0.583
JOH-UNI-50ce7ec3-1
0.580
JOH-UNI-a38a7bdd-2
0.575
PET-UNK-a692de38-1
0.575
PET-UNK-5ecb6237-1
0.570
DAR-DIA-076fb6ea-12
0.556
DAR-DIA-076fb6ea-15
0.551
ALP-UNI-44c99a80-4
0.548
NAU-LAT-4ce8bf23-2
0.544
ALP-UNI-44c99a80-1
0.538
DAR-DIA-076fb6ea-5
0.533
DAR-DIA-076fb6ea-9
0.515
JOH-UNI-a38a7bdd-7
0.474
MAT-POS-e69ad64a-3
0.462
PET-UNK-e8c7a26f-1
0.446
ADA-UCB-6c2cb422-1
0.443
VLA-UCB-05e51b3f-9
0.437
VLA-UCB-50c39ae8-6
0.437
MIC-UNK-67d4a29a-2
0.426
JOH-UNI-3fc3434e-10
0.424
JOH-UNI-ee5ed7c8-10
0.424
DAR-DIA-6a49afbe-1
0.422
JOH-UNI-50ce7ec3-4
0.421
JOH-UNI-ee5ed7c8-13
0.417
JOH-UNI-a38a7bdd-9
0.417
JOH-UNI-3fc3434e-13
0.417
VLA-UNK-5c5a631c-3
0.411
MIC-UNK-67d4a29a-1
0.409
ALF-EVA-a24cc7ce-7
0.407
MIC-UNK-67d4a29a-4
0.406
NIR-THE-2069301b-1
0.400
JOH-UNI-50ce7ec3-3
0.400
JOH-UNI-ee5ed7c8-5
0.400
JOH-UNI-3fc3434e-5
0.400
MIC-UNK-67d4a29a-3
0.400
DAR-DIA-6a49afbe-4
0.394
JOH-UNI-ee5ed7c8-9
0.394
JOH-UNI-3fc3434e-9
0.394
VLA-UCB-34f3ed0c-19
0.391
EDJ-MED-50fe53e8-1
0.387
MAT-POS-3cc264b0-1
0.387
JOH-UNI-6fede743-4
0.387
JOH-UNI-3fc3434e-7
0.386
JOH-UNI-ee5ed7c8-7
0.386
RUB-POS-1325a9ea-18
0.383
VLA-UCB-05e51b3f-7
0.381
VLA-UCB-50c39ae8-4
0.381
VLA-UCB-05e51b3f-4
0.381
VLA-UCB-50c39ae8-1
0.381
MAT-POS-e69ad64a-1
0.380
NIR-THE-af15c15d-1
0.380
JOH-UNI-a38a7bdd-3
0.379
JOH-UNI-6fede743-2
0.379
NIR-THE-47736cde-2
0.377
MAT-POS-e69ad64a-2
0.377
NIR-THE-47736cde-1
0.377
ALP-POS-76eab5ce-2
0.376
JOH-UNI-a38a7bdd-8
0.373
EDJ-MED-a364e151-3
0.372
ALP-POS-75715966-2
0.371
PET-UNK-e8c7a26f-2
0.370
MAT-POS-f7918075-5
0.368
ALP-POS-f13221e1-3
0.368
VLA-UCB-50c39ae8-7
0.367
MAT-POS-090737b9-1
0.367
VLA-UCB-05e51b3f-10
0.367
DAR-DIA-56cf811e-6
0.366
MAK-UNK-c749d764-25
0.365
DAR-DIA-56cf811e-2
0.365
DAR-DIA-076fb6ea-2
0.365
JIN-POS-6dc588a4-11
0.365
ALP-POS-b3306dea-1
0.364
DAR-DIA-076fb6ea-7
0.364
EDG-MED-0da5ad92-1
0.363
JAN-GHE-83b26c96-15
0.363
VLA-UCB-05e51b3f-3
0.362
JOH-UNI-3fc3434e-8
0.361
JOH-UNI-ee5ed7c8-8
0.361
MAT-POS-90fd5f68-40
0.361
DAR-DIA-5ff57136-1
0.360
DAR-DIA-5ff57136-2
0.360
JOH-UNI-3fc3434e-11
0.360
JOH-UNI-ee5ed7c8-11
0.360
ALF-EVA-a24cc7ce-2
0.359