Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)F |
| MW: | 296.05 |
| Fraction sp3: | 0.14 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.85 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-bb423b95-5
0.746
ALP-POS-95b75b4d-8
0.625
SAM-UNK-2684b532-13
0.625
ALP-POS-95b75b4d-6
0.615
TRY-UNI-714a760b-6
0.606
SAM-UNK-2684b532-12
0.594
JIN-POS-6dc588a4-4
0.594
JOH-UNI-abfda500-4
0.588
JOH-UNI-abfda500-5
0.588
ANN-UNI-98d2bf15-3
0.588
ALP-POS-95b75b4d-7
0.586
MAK-UNK-6ca90168-23
0.580
JIN-POS-6dc588a4-3
0.571
RUB-POS-1325a9ea-19
0.571
MIC-UNK-51049f1a-5
0.560
ALP-POS-95b75b4d-5
0.556
MAT-POS-bb423b95-4
0.556
MAT-POS-bb423b95-3
0.548
JIN-POS-6dc588a4-6
0.548
ALP-POS-0c2c77e1-1
0.548
SAM-UNK-2684b532-5
0.548
JAN-GHE-5a013bed-10
0.537
MAT-POS-bb423b95-1
0.534
JIN-POS-6dc588a4-22
0.527
JIN-POS-6dc588a4-14
0.520
MAT-POS-f7918075-5
0.520
PET-UNK-8df914d1-3
0.514
MAT-POS-bb423b95-9
0.514
ABI-SAT-4d06482b-2
0.507
JIN-POS-6dc588a4-13
0.507
MAT-POS-c0609ef7-1
0.506
JAN-GHE-5a013bed-8
0.500
JOH-UNI-6fede743-1
0.500
TRY-UNI-714a760b-3
0.500
EDG-MED-0da5ad92-2
0.500
MIC-UNK-7574fcc6-1
0.494
EDG-MED-0da5ad92-16
0.486
EDG-MED-0da5ad92-21
0.486
MIC-UNK-50cce87d-1
0.481
JIN-POS-6dc588a4-10
0.481
RUB-POS-1325a9ea-5
0.481
EDJ-MED-c5ca5386-1
0.481
MAT-POS-bb423b95-8
0.481
MAT-POS-bb423b95-2
0.481
JIN-POS-6dc588a4-12
0.481
PET-UNK-b1ef24dc-4
0.481
RUB-POS-1325a9ea-2
0.481
ADA-UCB-6c2cb422-1
0.480
EDG-MED-0da5ad92-14
0.479
MAT-POS-29385cc1-2
0.476
MAT-POS-f7918075-3
0.474
JIN-POS-6dc588a4-11
0.474
MIC-UNK-08cd9c58-1
0.474
RUB-POS-1325a9ea-8
0.474
EDJ-MED-6ab52e52-1
0.474
MIC-UNK-51049f1a-6
0.474
MIC-UNK-50cce87d-2
0.474
EDJ-MED-c8e7a002-12
0.474
JAN-GHE-5a013bed-9
0.471
MAT-POS-f7918075-7
0.468
RUB-POS-1325a9ea-1
0.468
JIN-POS-6dc588a4-18
0.468
EDJ-MED-a364e151-3
0.468
RUB-POS-1325a9ea-12
0.468
RUB-POS-1325a9ea-13
0.468
PET-UNK-e274cad4-6
0.468
PET-UNK-b1ef24dc-1
0.468
PET-UNK-b1ef24dc-2
0.468
PET-UNK-7f7e354d-7
0.468
PET-UNK-8df914d1-4
0.465
MIC-UNK-668ac5de-1
0.463
MIC-UNK-f2576da4-1
0.463
MAT-POS-29385cc1-4
0.463
JIN-POS-6dc588a4-16
0.462
MIC-UNK-50cce87d-3
0.462
RUB-POS-1325a9ea-11
0.462
PET-UNK-b1ef24dc-3
0.462
MAT-POS-199e2e7c-1
0.462
RUB-POS-1325a9ea-3
0.462
EDJ-MED-076d6e64-1
0.462
VLA-UCB-00f2c2b3-7
0.461
EDG-MED-0da5ad92-17
0.459
AGN-NEW-c7b24fe3-4
0.459
AGN-NEW-c7b24fe3-5
0.459
JOH-UNI-3fc3434e-3
0.457
JOH-UNI-ee5ed7c8-3
0.457
EDJ-MED-a364e151-2
0.456
MIC-UNK-8971c93c-1
0.456
MAT-POS-f7918075-4
0.456
JOH-UNI-6fede743-2
0.456
EDJ-MED-a364e151-1
0.456
MAT-POS-f7918075-8
0.456
RUB-POS-1325a9ea-15
0.456
RUB-POS-1325a9ea-17
0.455
AGN-NEW-c7b24fe3-1
0.453
MAT-POS-29385cc1-1
0.452
PET-UNK-b38839dc-1
0.452
EDG-MED-0da5ad92-6
0.452
MAT-POS-90fd5f68-4
0.451
MAT-POS-c20a539d-4
0.451