Molecular Properties | |
SMILES: | CN(C(=O)Cc1cccc(Cl)c1)c1c(CC(F)(F)F)ncc2ccccc12 |
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-3fc3434e-10
1.000
JOH-UNI-3fc3434e-9
0.612
JOH-UNI-ee5ed7c8-9
0.612
JOH-UNI-ee5ed7c8-11
0.552
JOH-UNI-3fc3434e-11
0.552
MAT-POS-bb423b95-7
0.512
JOH-UNI-3fc3434e-13
0.467
JOH-UNI-ee5ed7c8-13
0.467
JOH-UNI-a38a7bdd-2
0.462
PET-UNK-12d8d43f-2
0.462
JOH-UNI-a38a7bdd-1
0.447
JOH-UNI-6fede743-2
0.444
PET-UNK-12d8d43f-1
0.435
VLA-UCB-05e51b3f-17
0.435
RUB-POS-1325a9ea-18
0.433
PET-UNK-a692de38-1
0.432
JOH-UNI-a38a7bdd-6
0.426
PET-UNK-5ecb6237-1
0.426
JOH-UNI-a38a7bdd-5
0.424
JOH-UNI-6fede743-4
0.422
JOH-UNI-50ce7ec3-2
0.421
DAR-DIA-56cf811e-5
0.420
VLA-UCB-05e51b3f-15
0.419
PET-UNK-6c2be958-1
0.419
DAR-DIA-076fb6ea-5
0.414
JOH-UNI-ee5ed7c8-8
0.409
JOH-UNI-3fc3434e-8
0.409
DAR-DIA-56cf811e-1
0.402
DAR-DIA-076fb6ea-1
0.402
VLA-UCB-05e51b3f-16
0.402
ADA-UCB-6c2cb422-1
0.400
MIC-UNK-67d4a29a-2
0.400
DAR-DIA-076fb6ea-15
0.398
MIC-UNK-67d4a29a-1
0.398
JAN-GHE-83b26c96-15
0.398
EDG-MED-0da5ad92-1
0.398
JOH-UNI-50ce7ec3-4
0.396
DAR-DIA-076fb6ea-3
0.394
DAR-DIA-076fb6ea-11
0.394
NAU-LAT-4ce8bf23-2
0.394
JOH-UNI-50ce7ec3-1
0.394
EDJ-MED-50fe53e8-1
0.391
MAT-POS-3cc264b0-1
0.391
DAR-DIA-076fb6ea-8
0.390
MIC-UNK-67d4a29a-3
0.389
DAR-DIA-076fb6ea-9
0.382
MIC-UNK-67d4a29a-4
0.381
DAR-DIA-6a49afbe-1
0.380
DAR-DIA-56cf811e-3
0.379
ALP-UNI-44c99a80-1
0.379
VLA-UNK-4cf5aa07-2
0.378
JOH-UNI-3fc3434e-5
0.376
JOH-UNI-50ce7ec3-3
0.376
JOH-UNI-ee5ed7c8-5
0.376
ALP-UNI-44c99a80-4
0.375
MAT-POS-6c284e65-1
0.374
JOH-UNI-6fede743-1
0.372
JOH-UNI-3fc3434e-3
0.371
JOH-UNI-ee5ed7c8-3
0.371
JOH-UNI-a38a7bdd-4
0.368
ALP-POS-76eab5ce-2
0.366
JOH-UNI-6fede743-5
0.357
JOH-UNI-a38a7bdd-3
0.354
MAT-POS-90fd5f68-25
0.354
PET-UNK-d899bab6-1
0.354
RUB-POS-1325a9ea-17
0.351
PET-UNK-d899bab6-3
0.350
JOH-UNI-3fc3434e-12
0.349
JOH-UNI-ee5ed7c8-12
0.349
MAT-POS-90fd5f68-23
0.346
PET-UNK-f92d7c0c-3
0.344
JIN-POS-6dc588a4-21
0.344
JIN-POS-6dc588a4-24
0.344
DAR-DIA-076fb6ea-12
0.342
ALP-POS-3b848b35-3
0.340
JIN-POS-6dc588a4-23
0.340
MAT-POS-90fd5f68-33
0.339
JIN-POS-6dc588a4-7
0.337
RUB-POS-1325a9ea-4
0.337
JOH-UNI-a38a7bdd-9
0.337
JOH-UNI-a38a7bdd-7
0.337
ALP-POS-75715966-2
0.336
MAT-POS-90fd5f68-31
0.336
ALP-POS-c3a96089-3
0.336
PET-UNK-d899bab6-2
0.333
EDJ-MED-50fe53e8-2
0.333
MAT-POS-f7918075-6
0.333
JOH-UNI-50ce7ec3-6
0.333
PET-UNK-b1ef24dc-2
0.333
BEN-DND-1e24cf73-3
0.333
MAT-POS-90fd5f68-28
0.333
JAN-GHE-83b26c96-16
0.333
ALP-POS-95b75b4d-6
0.333
JAN-GHE-5a013bed-5
0.333
JIN-POS-6dc588a4-6
0.333
EDG-MED-0da5ad92-14
0.333
EDJ-MED-49816e9b-3
0.333
MAT-POS-90fd5f68-5
0.330
MAT-POS-90fd5f68-21
0.330
DAR-DIA-56cf811e-6
0.330