Molecular Properties | |
SMILES: | CN(C(=O)Cc1cccc(Cl)c1)c1cncc2cccc(CC(F)(F)F)c12 |
MW: | 392.09 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 33.2 |
cLogP: | 5.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
JOH-UNI-ee5ed7c8-13
1.000
MIC-UNK-67d4a29a-1
0.689
MIC-UNK-67d4a29a-2
0.684
MIC-UNK-67d4a29a-3
0.671
MIC-UNK-67d4a29a-4
0.654
JOH-UNI-3fc3434e-5
0.614
JOH-UNI-ee5ed7c8-5
0.614
JOH-UNI-ee5ed7c8-3
0.580
JOH-UNI-3fc3434e-3
0.580
MAT-POS-bb423b95-7
0.562
EDG-MED-0da5ad92-1
0.494
JAN-GHE-83b26c96-15
0.494
JOH-UNI-a38a7bdd-1
0.489
JOH-UNI-a38a7bdd-2
0.489
JOH-UNI-ee5ed7c8-10
0.467
JOH-UNI-3fc3434e-10
0.467
VLA-UCB-05e51b3f-17
0.460
PET-UNK-12d8d43f-1
0.460
PET-UNK-12d8d43f-2
0.456
PET-UNK-5ecb6237-1
0.449
JOH-UNI-50ce7ec3-2
0.444
MIC-UNK-668ac5de-1
0.443
VLA-UCB-05e51b3f-15
0.443
PET-UNK-6c2be958-1
0.443
DAR-DIA-56cf811e-5
0.442
PET-UNK-a692de38-1
0.440
JOH-UNI-a38a7bdd-3
0.437
JOH-UNI-a38a7bdd-4
0.437
DAR-DIA-076fb6ea-15
0.435
JOH-UNI-a38a7bdd-6
0.433
DAR-DIA-076fb6ea-8
0.426
MIC-UNK-50cce87d-1
0.425
RUB-POS-1325a9ea-3
0.425
RUB-POS-1325a9ea-2
0.425
MIC-UNK-50cce87d-3
0.425
DAR-DIA-56cf811e-1
0.424
DAR-DIA-076fb6ea-1
0.424
VLA-UCB-05e51b3f-16
0.424
JOH-UNI-3fc3434e-12
0.423
JOH-UNI-ee5ed7c8-12
0.423
DAR-DIA-076fb6ea-5
0.421
MIC-UNK-51049f1a-6
0.419
MIC-UNK-50cce87d-2
0.419
EDJ-MED-6ab52e52-1
0.419
JOH-UNI-a38a7bdd-5
0.417
MIC-UNK-50cce87d-4
0.416
RUB-POS-1325a9ea-9
0.416
JOH-UNI-50ce7ec3-1
0.415
NAU-LAT-4ce8bf23-2
0.415
DAR-DIA-076fb6ea-3
0.414
DAR-DIA-076fb6ea-11
0.414
PET-UNK-6314f867-3
0.411
MIC-UNK-51049f1a-5
0.411
EDJ-MED-c5ca5386-1
0.409
ALP-UNI-44c99a80-1
0.398
DAR-DIA-56cf811e-3
0.398
JOH-UNI-ee5ed7c8-1
0.398
JOH-UNI-3fc3434e-1
0.398
JOH-UNI-a38a7bdd-8
0.396
JOH-UNI-a38a7bdd-7
0.396
MAT-POS-29385cc1-4
0.396
SAM-UNK-2684b532-12
0.395
JIN-POS-6dc588a4-4
0.395
ALP-UNI-44c99a80-4
0.394
PET-UNK-d899bab6-2
0.394
DAR-DIA-56cf811e-6
0.389
JOH-UNI-ee5ed7c8-9
0.389
JOH-UNI-3fc3434e-9
0.389
MIC-UNK-7574fcc6-1
0.389
MAT-POS-90fd5f68-25
0.387
PET-UNK-d899bab6-1
0.387
DAR-DIA-076fb6ea-7
0.387
MAT-POS-90fd5f68-7
0.387
MAT-POS-8feb6e35-1
0.387
DAR-DIA-076fb6ea-9
0.387
RUB-POS-1325a9ea-14
0.385
PET-UNK-e274cad4-1
0.385
JAN-GHE-83b26c96-16
0.384
MAT-POS-90fd5f68-10
0.381
PET-UNK-8df914d1-3
0.381
PET-UNK-bbe8d7ff-1
0.378
PET-UNK-bbe8d7ff-2
0.378
MAT-POS-90fd5f68-28
0.378
JAN-GHE-d851b096-1
0.376
BAR-COM-ebf5acce-3
0.376
MAT-POS-90fd5f68-3
0.375
MAT-POS-90fd5f68-21
0.375
JIN-POS-6dc588a4-11
0.374
DAR-DIA-076fb6ea-2
0.374
DAR-DIA-076fb6ea-16
0.374
DAR-DIA-56cf811e-2
0.374
TRY-UNI-714a760b-3
0.372
ALF-EVA-a24cc7ce-7
0.371
DAR-DIA-076fb6ea-12
0.370
JOH-UNI-3fc3434e-2
0.370
JOH-UNI-ee5ed7c8-2
0.370
PET-UNK-d899bab6-3
0.368
BAR-COM-ebf5acce-6
0.368
BAR-COM-ebf5acce-9
0.368
JOH-UNI-3fc3434e-11
0.368