Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cccc(CC(F)(F)F)c12 |
| MW: | 378.07 |
| Fraction sp3: | 0.16 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 5.17 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
high halogen content (>3)
JOH-UNI-ee5ed7c8-3
1.000
MIC-UNK-668ac5de-1
0.667
MIC-UNK-50cce87d-1
0.649
RUB-POS-1325a9ea-2
0.649
MIC-UNK-50cce87d-2
0.644
EDJ-MED-6ab52e52-1
0.644
MIC-UNK-51049f1a-6
0.644
RUB-POS-1325a9ea-3
0.627
MIC-UNK-50cce87d-3
0.627
MIC-UNK-51049f1a-5
0.623
PET-UNK-6314f867-3
0.623
RUB-POS-1325a9ea-9
0.610
MIC-UNK-50cce87d-4
0.610
EDJ-MED-c5ca5386-1
0.605
JOH-UNI-3fc3434e-1
0.600
JOH-UNI-ee5ed7c8-1
0.600
JOH-UNI-ee5ed7c8-13
0.580
JOH-UNI-3fc3434e-13
0.580
MIC-UNK-7574fcc6-1
0.577
MAT-POS-8feb6e35-1
0.568
MAT-POS-29385cc1-4
0.562
JOH-UNI-ee5ed7c8-2
0.552
JOH-UNI-3fc3434e-2
0.552
SAM-UNK-2684b532-12
0.532
JIN-POS-6dc588a4-4
0.532
PET-UNK-e274cad4-6
0.532
EDJ-MED-c5ca5386-2
0.530
MAT-POS-8feb6e35-2
0.518
RUB-POS-1325a9ea-12
0.512
PET-UNK-e274cad4-1
0.512
RUB-POS-1325a9ea-14
0.512
EDJ-MED-239d8ca5-1
0.512
ADA-UCB-6c2cb422-1
0.506
MIC-UNK-f2576da4-1
0.506
MAT-POS-90fd5f68-6
0.500
JIN-POS-6dc588a4-11
0.500
JAN-GHE-5a013bed-10
0.500
PET-UNK-8df914d1-3
0.500
MAT-POS-bb423b95-1
0.500
MAT-POS-90fd5f68-23
0.494
EDJ-MED-239d8ca5-2
0.494
PET-UNK-b1ef24dc-1
0.494
PET-UNK-b1ef24dc-2
0.494
SAM-UNK-2684b532-13
0.493
ALP-POS-95b75b4d-8
0.493
MAT-POS-90fd5f68-5
0.489
MAT-POS-90fd5f68-24
0.489
MAT-POS-90fd5f68-41
0.488
MAT-POS-90fd5f68-37
0.488
MAT-POS-90fd5f68-38
0.488
MAT-POS-bb423b95-8
0.488
MAT-POS-f7918075-5
0.488
MAT-POS-bb423b95-2
0.488
JIN-POS-6dc588a4-14
0.488
TRY-UNI-714a760b-3
0.487
MAT-POS-c20a539d-4
0.477
PET-UNK-d899bab6-1
0.477
MAT-POS-c20a539d-5
0.477
PET-UNK-6314f867-2
0.477
MAT-POS-c0609ef7-1
0.477
MAT-POS-90fd5f68-7
0.477
MAT-POS-90fd5f68-25
0.477
MAT-POS-c20a539d-6
0.476
MAT-POS-29385cc1-3
0.476
MAT-POS-90fd5f68-40
0.476
RUB-POS-1325a9ea-4
0.476
RUB-POS-1325a9ea-19
0.475
MAT-POS-c20a539d-2
0.471
JOH-UNI-6fede743-1
0.470
ANN-UNI-98d2bf15-3
0.468
JOH-UNI-abfda500-5
0.468
ALP-POS-95b75b4d-6
0.468
MAT-POS-90fd5f68-18
0.467
PET-UNK-d899bab6-2
0.466
MAT-POS-29385cc1-2
0.466
MAT-POS-90fd5f68-2
0.466
EDJ-MED-00c1612e-1
0.465
MAT-POS-90fd5f68-19
0.465
MAT-POS-90fd5f68-1
0.465
PET-UNK-8df914d1-1
0.465
EDJ-MED-c8e7a002-12
0.463
MAK-UNK-6ca90168-23
0.463
TRY-UNI-714a760b-6
0.462
MAT-POS-90fd5f68-3
0.461
MAT-POS-29385cc1-1
0.461
PET-UNK-b38839dc-1
0.461
MAT-POS-90fd5f68-21
0.461
MAT-POS-90fd5f68-4
0.460
MAT-POS-c20a539d-1
0.460
MAT-POS-90fd5f68-22
0.460
JIN-POS-6dc588a4-13
0.458
RUB-POS-1325a9ea-13
0.458
MIC-UNK-d935700b-1
0.457
SAM-UNK-2684b532-11
0.457
ABI-SAT-4d06482b-2
0.456
JOH-UNI-ee5ed7c8-11
0.455
MAT-POS-90fd5f68-29
0.455
EDG-MED-0da5ad92-21
0.455
MAT-POS-90fd5f68-11
0.455
JOH-UNI-3fc3434e-11
0.455