Molecular Properties | |
SMILES: | CN(C(=O)Cc1cccc(Cl)c1)c1cncc2cccc(F)c12 |
MW: | 328.08 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 33.2 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-67d4a29a-4
0.716
MIC-UNK-67d4a29a-1
0.708
MIC-UNK-67d4a29a-3
0.689
JOH-UNI-ee5ed7c8-13
0.684
JOH-UNI-3fc3434e-13
0.684
JOH-UNI-3fc3434e-5
0.630
JOH-UNI-ee5ed7c8-5
0.630
MAT-POS-bb423b95-7
0.557
MIC-UNK-50cce87d-1
0.544
RUB-POS-1325a9ea-2
0.544
EDG-MED-0da5ad92-1
0.506
JAN-GHE-83b26c96-15
0.506
VLA-UCB-05e51b3f-17
0.471
PET-UNK-12d8d43f-2
0.466
JOH-UNI-a38a7bdd-1
0.466
MIC-UNK-50cce87d-4
0.459
RUB-POS-1325a9ea-9
0.459
PET-UNK-12d8d43f-1
0.453
VLA-UCB-05e51b3f-15
0.453
PET-UNK-6c2be958-1
0.453
PET-UNK-5ecb6237-1
0.443
JOH-UNI-50ce7ec3-2
0.438
EDJ-MED-c5ca5386-1
0.435
MIC-UNK-50cce87d-3
0.435
RUB-POS-1325a9ea-3
0.435
DAR-DIA-076fb6ea-8
0.435
JOH-UNI-a38a7bdd-2
0.433
PET-UNK-d899bab6-2
0.433
DAR-DIA-56cf811e-1
0.433
DAR-DIA-076fb6ea-1
0.433
PET-UNK-a692de38-1
0.433
VLA-UCB-05e51b3f-16
0.433
MIC-UNK-7574fcc6-1
0.430
DAR-DIA-076fb6ea-15
0.429
EDJ-MED-6ab52e52-1
0.429
MIC-UNK-50cce87d-2
0.429
MIC-UNK-51049f1a-6
0.429
JOH-UNI-a38a7bdd-5
0.426
NAU-LAT-4ce8bf23-2
0.424
DAR-DIA-076fb6ea-3
0.423
DAR-DIA-076fb6ea-11
0.423
DAR-DIA-56cf811e-5
0.421
ALP-UNI-44c99a80-1
0.421
MAT-POS-29385cc1-4
0.420
MIC-UNK-668ac5de-1
0.420
PET-UNK-6314f867-3
0.420
MIC-UNK-51049f1a-5
0.420
JOH-UNI-ee5ed7c8-12
0.417
JOH-UNI-3fc3434e-12
0.417
JOH-UNI-3fc3434e-3
0.416
JOH-UNI-ee5ed7c8-3
0.416
DAR-DIA-076fb6ea-5
0.415
JOH-UNI-a38a7bdd-3
0.414
JIN-POS-6dc588a4-11
0.414
JOH-UNI-a38a7bdd-6
0.412
JAN-GHE-83b26c96-16
0.410
JOH-UNI-50ce7ec3-1
0.409
JIN-POS-6dc588a4-13
0.407
DAR-DIA-56cf811e-3
0.406
JOH-UNI-3fc3434e-10
0.400
JOH-UNI-ee5ed7c8-10
0.400
JOH-UNI-ee5ed7c8-9
0.398
JOH-UNI-3fc3434e-9
0.398
JOH-UNI-a38a7bdd-4
0.398
MAT-POS-90fd5f68-25
0.396
MAT-POS-8feb6e35-1
0.396
PET-UNK-d899bab6-1
0.396
DAR-DIA-076fb6ea-7
0.396
MAT-POS-90fd5f68-7
0.396
JOH-UNI-ee5ed7c8-1
0.391
JOH-UNI-3fc3434e-1
0.391
PET-UNK-8df914d1-3
0.390
MAT-POS-90fd5f68-10
0.389
ALP-UNI-44c99a80-4
0.388
MAT-POS-29385cc1-2
0.387
PET-UNK-bbe8d7ff-1
0.386
PET-UNK-bbe8d7ff-2
0.386
MAT-POS-90fd5f68-28
0.385
BAR-COM-ebf5acce-3
0.385
JAN-GHE-d851b096-1
0.385
PET-UNK-b38839dc-1
0.383
MAT-POS-90fd5f68-3
0.383
MAT-POS-90fd5f68-21
0.383
BAR-COM-ebf5acce-4
0.383
MAT-POS-29385cc1-1
0.383
DAR-DIA-56cf811e-2
0.382
DAR-DIA-076fb6ea-2
0.382
DAR-DIA-076fb6ea-16
0.382
PET-UNK-7fb4f80a-3
0.381
TRY-UNI-714a760b-3
0.381
DAR-DIA-076fb6ea-9
0.381
BAR-COM-ebf5acce-15
0.380
PET-UNK-e274cad4-1
0.378
RUB-POS-1325a9ea-4
0.378
RUB-POS-1325a9ea-14
0.378
PET-UNK-d899bab6-3
0.376
JOH-UNI-a38a7bdd-9
0.376
BAR-COM-ebf5acce-9
0.376
EDJ-MED-c8e7a002-13
0.375
JOH-UNI-a38a7bdd-7
0.375