Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1cnnc1C1CC1 |
| MW: | 276.08 |
| Fraction sp3: | 0.31 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 59.81 |
| cLogP: | 2.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
JAN-GHE-f4ca5a00-14
0.563
JAN-GHE-f4ca5a00-19
0.525
JAN-GHE-5a013bed-5
0.516
JAN-GHE-5a013bed-4
0.507
JAN-GHE-f4ca5a00-17
0.500
NAU-LAT-e1818702-1
0.473
JAN-GHE-f4ca5a00-12
0.473
JAN-GHE-5a013bed-2
0.467
JAN-GHE-5a013bed-1
0.451
NAU-LAT-e1818702-7
0.444
JAG-UCB-a3ef7265-17
0.444
JAN-GHE-5a013bed-3
0.443
MAT-POS-bfb445d4-2
0.423
ALP-POS-8b8a49e1-7
0.423
NAU-LAT-e1818702-10
0.423
JAN-GHE-5a013bed-7
0.423
PET-UNK-f92d7c0c-1
0.419
PET-UNK-f92d7c0c-6
0.419
JAN-GHE-f4ca5a00-22
0.419
PET-UNK-f92d7c0c-5
0.417
PET-UNK-158bee2a-4
0.417
MIC-UNK-42806bd5-1
0.417
ALP-POS-90e38439-2
0.417
PET-UNK-f92d7c0c-4
0.417
MAT-POS-500ca5bf-2
0.417
EDG-MED-0da5ad92-15
0.413
PET-UNK-8df914d1-5
0.410
ALP-POS-8b8a49e1-8
0.408
VLA-UNK-411a133b-1
0.405
MAT-POS-bb423b95-4
0.400
MIC-UNK-13557a72-1
0.400
ALP-POS-95b75b4d-5
0.400
EDJ-MED-49816e9b-5
0.400
JAN-GHE-5a013bed-11
0.397
NAU-LAT-e1818702-9
0.395
NAU-LAT-e1818702-2
0.395
NAU-LAT-e1818702-8
0.395
ALP-POS-8b8a49e1-5
0.392
VLA-UNK-411a133b-2
0.392
MIC-UNK-42806bd5-2
0.392
ALP-POS-90e38439-3
0.392
MIC-UNK-fc94cdb5-1
0.392
EDJ-MED-c8e7a002-7
0.390
EDJ-MED-076d6e64-1
0.390
MIC-UNK-d935700b-2
0.390
MIC-UNK-4c7b8ba7-1
0.390
JAN-GHE-5a013bed-6
0.389
PET-UNK-158bee2a-2
0.389
MIC-UNK-8373f97b-5
0.388
PET-UNK-8df914d1-4
0.387
JAG-UCB-a3ef7265-15
0.387
MAT-POS-0bc33984-1
0.385
EDJ-MED-c8e7a002-4
0.381
SAD-SAT-b55127ae-1
0.373
JIN-POS-6dc588a4-8
0.370
NAM-UNK-f7c77a48-3
0.370
JAN-GHE-5a013bed-9
0.370
RUB-POS-1325a9ea-7
0.369
NAM-UNK-f7c77a48-4
0.368
EDG-MED-0da5ad92-16
0.368
MIC-UNK-8373f97b-4
0.366
VLA-UNK-dc1d9354-1
0.366
EDJ-MED-49816e9b-3
0.364
EDG-MED-0da5ad92-12
0.364
MIC-UNK-66895286-1
0.360
JAN-GHE-5a013bed-8
0.360
EDG-MED-0da5ad92-2
0.360
PET-UNK-8df914d1-3
0.359
MAT-POS-0bc33984-2
0.359
RUB-POS-1325a9ea-16
0.358
MIC-UNK-b12b7f76-2
0.358
ALP-POS-8b8a49e1-6
0.358
EDJ-MED-c8e7a002-17
0.357
EDJ-MED-c8e7a002-8
0.357
RUB-POS-1325a9ea-6
0.357
MAT-POS-90fd5f68-1
0.356
JAN-GHE-5a013bed-10
0.355
NAU-LAT-a5c7d7cb-12
0.354
PET-UNK-e44ffd04-1
0.354
BEN-DND-02317c5c-8
0.354
EDJ-MED-239d8ca5-1
0.352
EDG-MED-0da5ad92-21
0.351
SAM-UNK-2684b532-13
0.351
ALP-POS-95b75b4d-8
0.351
PET-UNK-158bee2a-3
0.351
EDJ-MED-49816e9b-2
0.351
EDG-MED-0da5ad92-13
0.351
AGN-NEW-c7b24fe3-4
0.350
AGN-NEW-c7b24fe3-5
0.350
JOH-UNI-abfda500-5
0.350
ANN-UNI-98d2bf15-3
0.350
EDJ-MED-50fe53e8-3
0.349
JIN-POS-6dc588a4-2
0.349
PET-UNK-f92d7c0c-8
0.349
RUB-POS-1325a9ea-20
0.349
PET-UNK-f92d7c0c-2
0.349
BEN-DND-1e24cf73-1
0.349
ALP-POS-95b75b4d-6
0.346
EDG-MED-0da5ad92-14
0.346
VLA-UNK-4cf5aa07-2
0.346