Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1C |
| MW: | 274.09 |
| Fraction sp3: | 0.2 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.53 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
TRY-UNI-714a760b-3
0.705
TRY-UNI-714a760b-6
0.619
JAN-GHE-5a013bed-10
0.597
MIC-UNK-50cce87d-3
0.594
RUB-POS-1325a9ea-3
0.594
EDG-MED-0da5ad92-16
0.587
ABI-SAT-4d06482b-2
0.585
MIC-UNK-d935700b-1
0.582
RUB-POS-1325a9ea-5
0.571
MAT-POS-29385cc1-4
0.569
EDG-MED-0da5ad92-21
0.562
ALP-POS-95b75b4d-8
0.562
SAM-UNK-2684b532-13
0.562
MAT-POS-8feb6e35-2
0.560
PET-UNK-e274cad4-6
0.557
MAT-POS-c20a539d-6
0.556
RUB-POS-1325a9ea-4
0.556
MAT-POS-29385cc1-3
0.556
ALP-POS-95b75b4d-6
0.554
EDG-MED-0da5ad92-17
0.552
ADA-UCB-6c2cb422-1
0.551
MAT-POS-199e2e7c-1
0.549
MIC-UNK-f2576da4-1
0.548
MAT-POS-90fd5f68-37
0.548
EDJ-MED-6ab52e52-1
0.543
MAT-POS-bb423b95-1
0.543
MIC-UNK-50cce87d-2
0.543
MIC-UNK-51049f1a-6
0.543
JIN-POS-6dc588a4-3
0.536
MAT-POS-bb423b95-5
0.536
RUB-POS-1325a9ea-19
0.536
EDJ-MED-a364e151-3
0.535
PET-UNK-b1ef24dc-1
0.535
PET-UNK-b1ef24dc-2
0.535
RUB-POS-1325a9ea-12
0.535
JIN-POS-6dc588a4-6
0.535
RUB-POS-1325a9ea-14
0.534
PET-UNK-e274cad4-1
0.534
MIC-UNK-50cce87d-4
0.534
RUB-POS-1325a9ea-9
0.534
MAT-POS-c20a539d-4
0.533
MAT-POS-90fd5f68-4
0.533
MAT-POS-8feb6e35-1
0.533
EDG-MED-0da5ad92-12
0.530
EDJ-MED-49816e9b-3
0.530
EDG-MED-0da5ad92-14
0.530
JOH-UNI-abfda500-5
0.529
JOH-UNI-abfda500-4
0.529
ANN-UNI-98d2bf15-3
0.529
MAT-POS-bb423b95-2
0.528
EDJ-MED-c5ca5386-1
0.528
RUB-POS-1325a9ea-2
0.528
MIC-UNK-50cce87d-1
0.528
MAT-POS-f7918075-5
0.528
MAT-POS-bb423b95-8
0.528
JIN-POS-6dc588a4-14
0.528
MAT-POS-c20a539d-2
0.527
MAT-POS-90fd5f68-20
0.526
MAK-UNK-6ca90168-23
0.522
MAT-POS-bb423b95-9
0.521
JIN-POS-6dc588a4-11
0.521
EDJ-MED-a364e151-1
0.521
EDJ-MED-a364e151-2
0.521
RUB-POS-1325a9ea-15
0.521
MIC-UNK-7574fcc6-1
0.521
RUB-POS-1325a9ea-8
0.521
EDJ-MED-00c1612e-1
0.520
PET-UNK-8df914d1-1
0.520
MAT-POS-90fd5f68-19
0.520
PET-UNK-158bee2a-3
0.515
JIN-POS-6dc588a4-4
0.514
SAM-UNK-2684b532-12
0.514
SAM-UNK-2684b532-11
0.514
RUB-POS-1325a9ea-13
0.514
JIN-POS-6dc588a4-13
0.514
JIN-POS-6dc588a4-22
0.514
PET-UNK-7f7e354d-7
0.514
JIN-POS-6dc588a4-18
0.514
MAT-POS-90fd5f68-40
0.514
MAT-POS-c20a539d-1
0.513
MAT-POS-14ad9fe9-1
0.513
EDJ-MED-239d8ca5-1
0.513
PET-UNK-d899bab6-1
0.513
MAT-POS-90fd5f68-25
0.513
MAT-POS-90fd5f68-7
0.513
EDJ-MED-c5ca5386-2
0.513
MAT-POS-90fd5f68-22
0.513
MAT-POS-90fd5f68-21
0.513
MAT-POS-90fd5f68-17
0.513
ALP-POS-95b75b4d-7
0.507
RUB-POS-1325a9ea-11
0.507
PET-UNK-b1ef24dc-3
0.507
PET-UNK-b1ef24dc-4
0.507
JIN-POS-6dc588a4-10
0.507
JIN-POS-6dc588a4-12
0.507
PET-UNK-6314f867-3
0.507
MIC-UNK-51049f1a-5
0.507
MAT-POS-90fd5f68-38
0.507
MIC-UNK-668ac5de-1
0.507
PET-UNK-f4e47ebd-2
0.506