Molecular Properties | |
SMILES: | Cc1ccncc1N(C(=O)Cc1cccc(Cl)c1)C(=O)C1CC1C(F)(F)F |
MW: | 396.09 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 50.27 |
cLogP: | 4.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
high halogen content (>3)
JOH-UNI-a38a7bdd-3
0.654
JOH-UNI-a38a7bdd-6
0.607
JOH-UNI-a38a7bdd-8
0.605
DAR-DIA-56cf811e-6
0.600
DAR-DIA-076fb6ea-2
0.593
DAR-DIA-56cf811e-2
0.593
JOH-UNI-a38a7bdd-4
0.573
DAR-DIA-076fb6ea-7
0.565
JAN-GHE-83b26c96-15
0.564
EDG-MED-0da5ad92-1
0.564
JOH-UNI-a38a7bdd-9
0.558
VLA-UCB-05e51b3f-3
0.549
DAR-DIA-56cf811e-4
0.545
PET-UNK-bbe8d7ff-1
0.542
DAR-DIA-076fb6ea-4
0.539
DAR-DIA-076fb6ea-13
0.539
DAR-DIA-076fb6ea-16
0.536
JAN-GHE-d851b096-1
0.535
PET-UNK-bbe8d7ff-2
0.524
BAR-COM-ebf5acce-3
0.517
BAR-COM-ebf5acce-1
0.517
BAR-COM-ebf5acce-9
0.506
BAR-COM-ebf5acce-6
0.506
DAR-DIA-076fb6ea-14
0.500
BAR-COM-ebf5acce-14
0.500
BAR-COM-ebf5acce-13
0.495
BAR-COM-ebf5acce-4
0.495
DAR-DIA-076fb6ea-6
0.494
BAR-COM-ebf5acce-15
0.494
BAR-COM-ebf5acce-2
0.484
BAR-COM-ebf5acce-5
0.479
BAR-COM-ebf5acce-8
0.479
BAR-COM-ebf5acce-10
0.478
JOH-UNI-a38a7bdd-5
0.474
BAR-COM-ebf5acce-7
0.474
BAR-COM-ebf5acce-11
0.469
DAR-DIA-076fb6ea-10
0.465
BAR-COM-ebf5acce-12
0.458
TRY-UNI-714a760b-6
0.412
PET-UNK-e8c7a26f-2
0.409
JOH-UNI-a38a7bdd-1
0.406
JOH-UNI-ee5ed7c8-13
0.396
JOH-UNI-3fc3434e-13
0.396
MIC-UNK-67d4a29a-3
0.394
JOH-UNI-50ce7ec3-6
0.394
VLA-UCB-05e51b3f-17
0.394
TRY-UNI-69298daf-1
0.392
PET-UNK-12d8d43f-2
0.392
MIC-UNK-67d4a29a-1
0.387
DAR-DIA-56cf811e-5
0.382
JAN-GHE-83b26c96-16
0.382
JOH-UNI-50ce7ec3-2
0.381
EDG-MED-0da5ad92-6
0.379
PET-UNK-8df914d1-3
0.379
VLA-UCB-05e51b3f-15
0.379
PET-UNK-6c2be958-1
0.379
JOH-UNI-a38a7bdd-2
0.378
MIC-UNK-67d4a29a-2
0.375
MAT-POS-bb423b95-7
0.372
EDJ-MED-a364e151-3
0.366
EDG-MED-0da5ad92-15
0.364
DAR-DIA-56cf811e-1
0.364
DAR-DIA-076fb6ea-1
0.364
PET-UNK-f92d7c0c-3
0.364
VLA-UCB-05e51b3f-16
0.364
PET-UNK-a692de38-1
0.364
SAM-UNK-2684b532-12
0.363
JIN-POS-6dc588a4-4
0.363
JOH-UNI-50ce7ec3-5
0.360
MIC-UNK-67d4a29a-4
0.357
TRY-UNI-714a760b-3
0.356
DAR-DIA-076fb6ea-8
0.353
JOH-UNI-3fc3434e-5
0.353
JOH-UNI-ee5ed7c8-5
0.353
ERI-UCB-5b47150d-5
0.353
JOH-UNI-ee5ed7c8-12
0.352
JOH-UNI-3fc3434e-12
0.352
JIN-POS-6dc588a4-6
0.351
SAM-UNK-2684b532-14
0.351
PET-UNK-12d8d43f-1
0.351
RUB-POS-1325a9ea-19
0.348
SAM-UNK-2684b532-11
0.348
JIN-POS-6dc588a4-3
0.348
PET-UNK-8df914d1-5
0.348
ALP-POS-f13221e1-4
0.348
DAR-DIA-076fb6ea-15
0.347
DAR-DIA-076fb6ea-11
0.346
DAR-DIA-076fb6ea-3
0.346
EDG-MED-0da5ad92-18
0.344
JOH-UNI-50ce7ec3-4
0.343
PET-UNK-5ecb6237-1
0.343
JOH-UNI-50ce7ec3-1
0.343
DAR-DIA-56cf811e-3
0.343
EDJ-MED-49816e9b-2
0.341
SAM-UNK-2684b532-13
0.341
PET-UNK-8df914d1-4
0.341
ALP-POS-95b75b4d-8
0.341
MAT-POS-bb423b95-4
0.340
ALP-POS-95b75b4d-5
0.340
EDJ-MED-b24713dc-4
0.340