Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cnn(C3CC3)c12 |
| MW: | 326.09 |
| Fraction sp3: | 0.24 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 59.81 |
| cLogP: | 3.6 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-f2576da4-1
EDJ-MED-239d8ca5-2
0.819
PET-UNK-e274cad4-1
0.667
RUB-POS-1325a9ea-14
0.667
MIC-UNK-f2576da4-1
0.658
PET-UNK-e274cad4-6
0.605
MIC-UNK-50cce87d-3
0.537
RUB-POS-1325a9ea-3
0.537
MAT-POS-29385cc1-4
0.518
JAN-GHE-5a013bed-10
0.514
PET-UNK-8df914d1-3
0.513
MIC-UNK-50cce87d-2
0.512
EDJ-MED-6ab52e52-1
0.512
MIC-UNK-51049f1a-6
0.512
JOH-UNI-3fc3434e-3
0.512
JOH-UNI-ee5ed7c8-3
0.512
PET-UNK-b1ef24dc-2
0.506
MAT-POS-29385cc1-3
0.506
MIC-UNK-50cce87d-4
0.506
MAT-POS-c20a539d-6
0.506
RUB-POS-1325a9ea-4
0.506
RUB-POS-1325a9ea-9
0.506
MAT-POS-bb423b95-2
0.500
MAT-POS-90fd5f68-38
0.500
MIC-UNK-668ac5de-1
0.500
RUB-POS-1325a9ea-2
0.500
MAT-POS-f7918075-5
0.500
EDJ-MED-c5ca5386-1
0.500
MAT-POS-c20a539d-2
0.500
MIC-UNK-50cce87d-1
0.500
ADA-UCB-6c2cb422-1
0.500
TRY-UNI-714a760b-3
0.500
MAT-POS-8feb6e35-2
0.494
MAT-POS-90fd5f68-2
0.494
MIC-UNK-7574fcc6-1
0.494
MAT-POS-bb423b95-1
0.494
MAT-POS-90fd5f68-8
0.489
MAT-POS-8feb6e35-1
0.488
EDJ-MED-c5ca5386-2
0.488
MAT-POS-c20a539d-4
0.488
PET-UNK-b1ef24dc-1
0.488
RUB-POS-1325a9ea-12
0.488
MAT-POS-90fd5f68-26
0.484
JOH-UNI-ee5ed7c8-1
0.483
JOH-UNI-3fc3434e-1
0.483
PET-UNK-6314f867-3
0.482
MAT-POS-90fd5f68-37
0.482
MIC-UNK-51049f1a-5
0.482
MAT-POS-bb423b95-8
0.482
JIN-POS-6dc588a4-14
0.482
EDJ-MED-00c1612e-1
0.477
MAT-POS-90fd5f68-1
0.477
PET-UNK-8df914d1-1
0.477
RUB-POS-1325a9ea-15
0.476
JIN-POS-6dc588a4-11
0.476
ALP-POS-95b75b4d-5
0.476
MAT-POS-bb423b95-4
0.476
TRY-UNI-714a760b-6
0.474
MAK-UNK-ffc90da7-5
0.474
MAT-POS-29385cc1-1
0.472
MAT-POS-90fd5f68-3
0.472
PET-UNK-b38839dc-1
0.472
MAT-POS-c20a539d-1
0.471
MAT-POS-90fd5f68-4
0.471
MAT-POS-90fd5f68-25
0.471
MAT-POS-90fd5f68-7
0.471
PET-UNK-d899bab6-1
0.471
MAT-POS-90fd5f68-22
0.471
MAT-POS-c0609ef7-1
0.471
MAT-POS-90fd5f68-40
0.471
RUB-POS-1325a9ea-13
0.470
EDJ-MED-a364e151-3
0.470
RUB-POS-1325a9ea-19
0.469
PET-UNK-8df914d1-5
0.469
ABI-SAT-4d06482b-2
0.468
SAM-UNK-2684b532-13
0.468
ALP-POS-95b75b4d-8
0.468
EDG-MED-0da5ad92-16
0.468
PET-UNK-f4e47ebd-2
0.466
PET-UNK-f4e47ebd-1
0.466
PET-UNK-d899bab6-3
0.466
PET-UNK-b38839dc-2
0.466
MAT-POS-90fd5f68-41
0.466
MAT-POS-90fd5f68-20
0.466
MAT-POS-199e2e7c-1
0.464
JOH-UNI-abfda500-5
0.463
ANN-UNI-98d2bf15-3
0.463
ALP-POS-95b75b4d-6
0.462
MAT-POS-90fd5f68-39
0.461
PET-UNK-d899bab6-2
0.461
MAT-POS-29385cc1-2
0.461
MAT-POS-90fd5f68-6
0.461
MAT-POS-90fd5f68-19
0.460
EDJ-MED-a364e151-2
0.459
NAU-LAT-e1818702-1
0.457
JAN-GHE-f4ca5a00-12
0.457
MAT-POS-90fd5f68-17
0.456
MAT-POS-c20a539d-8
0.456
MAT-POS-90fd5f68-27
0.456
MAT-POS-90fd5f68-35
0.456
MAT-POS-c20a539d-3
0.456