Molecular Properties | |
SMILES: | Cc1ccncc1N(CC(F)(F)F)C(=O)Cc1cccc(Cl)c1 |
MW: | 342.07 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 33.2 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
PET-UNK-bbe8d7ff-1
0.676
PET-UNK-bbe8d7ff-2
0.676
BAR-COM-ebf5acce-3
0.662
JOH-UNI-a38a7bdd-8
0.654
BAR-COM-ebf5acce-6
0.645
JOH-UNI-a38a7bdd-9
0.645
JOH-UNI-a38a7bdd-3
0.644
BAR-COM-ebf5acce-1
0.640
JAN-GHE-83b26c96-15
0.638
EDG-MED-0da5ad92-1
0.638
BAR-COM-ebf5acce-15
0.632
BAR-COM-ebf5acce-10
0.628
BAR-COM-ebf5acce-9
0.623
DAR-DIA-076fb6ea-16
0.600
BAR-COM-ebf5acce-7
0.598
BAR-COM-ebf5acce-12
0.598
BAR-COM-ebf5acce-14
0.593
DAR-DIA-076fb6ea-6
0.590
DAR-DIA-56cf811e-6
0.588
BAR-COM-ebf5acce-13
0.585
DAR-DIA-076fb6ea-2
0.579
DAR-DIA-56cf811e-2
0.579
JOH-UNI-a38a7bdd-7
0.573
BAR-COM-ebf5acce-11
0.571
JAN-GHE-d851b096-1
0.557
JOH-UNI-a38a7bdd-2
0.556
DAR-DIA-076fb6ea-7
0.550
BAR-COM-ebf5acce-2
0.537
BAR-COM-ebf5acce-4
0.530
DAR-DIA-56cf811e-4
0.530
DAR-DIA-076fb6ea-4
0.524
DAR-DIA-076fb6ea-13
0.524
BAR-COM-ebf5acce-5
0.512
BAR-COM-ebf5acce-8
0.512
VLA-UCB-05e51b3f-3
0.500
DAR-DIA-076fb6ea-10
0.495
DAR-DIA-076fb6ea-14
0.468
JAN-GHE-83b26c96-16
0.462
TRY-UNI-714a760b-6
0.461
EDG-MED-0da5ad92-6
0.442
JOH-UNI-3fc3434e-13
0.437
JOH-UNI-ee5ed7c8-13
0.437
PET-UNK-e8c7a26f-2
0.420
MIC-UNK-67d4a29a-3
0.419
SAM-UNK-2684b532-12
0.402
JIN-POS-6dc588a4-4
0.402
JOH-UNI-50ce7ec3-6
0.402
JOH-UNI-a38a7bdd-1
0.400
ALP-POS-75715966-4
0.400
MIC-UNK-67d4a29a-2
0.398
EDJ-MED-49816e9b-2
0.397
PET-UNK-158bee2a-3
0.397
MIC-UNK-67d4a29a-1
0.395
MAT-POS-bb423b95-7
0.395
PET-UNK-f92d7c0c-3
0.388
PET-UNK-8df914d1-3
0.388
VLA-UCB-05e51b3f-17
0.386
RUB-POS-1325a9ea-19
0.386
ALP-POS-f13221e1-4
0.386
PET-UNK-12d8d43f-2
0.385
EDG-MED-0da5ad92-18
0.383
JOH-UNI-50ce7ec3-5
0.380
SAM-UNK-2684b532-13
0.380
ALP-POS-95b75b4d-8
0.380
EDG-MED-0da5ad92-16
0.380
MIC-UNK-67d4a29a-4
0.378
NAU-LAT-4ce8bf23-2
0.376
ALP-POS-95b75b4d-6
0.375
EDG-MED-0da5ad92-12
0.375
DAR-DIA-56cf811e-5
0.375
JOH-UNI-50ce7ec3-2
0.374
MAK-UNK-6ca90168-23
0.373
JIN-POS-6dc588a4-6
0.372
SAM-UNK-2684b532-14
0.372
JAN-GHE-5a013bed-8
0.372
EDG-MED-0da5ad92-2
0.372
VLA-UCB-05e51b3f-15
0.371
PET-UNK-6c2be958-1
0.371
PET-UNK-12d8d43f-1
0.371
MAT-POS-29385cc1-4
0.371
EDG-MED-0da5ad92-15
0.370
PET-UNK-a692de38-1
0.370
SAM-UNK-2684b532-11
0.369
JIN-POS-6dc588a4-3
0.369
MAT-POS-bb423b95-5
0.369
JOH-UNI-3fc3434e-10
0.368
JOH-UNI-ee5ed7c8-10
0.368
JOH-UNI-a38a7bdd-6
0.367
ABI-SAT-4d06482b-2
0.366
DAR-DIA-076fb6ea-15
0.366
PET-UNK-5ecb6237-1
0.363
PET-UNK-8df914d1-4
0.362
JOH-UNI-abfda500-4
0.361
JOH-UNI-abfda500-5
0.361
ANN-UNI-98d2bf15-3
0.361
TRY-UNI-714a760b-3
0.361
ALP-UNI-44c99a80-1
0.361
EDJ-MED-49816e9b-3
0.358
JOH-UNI-ee5ed7c8-5
0.358
JOH-UNI-3fc3434e-5
0.358