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DocumentationIdentifier: MM355850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355850 |
| SMILES |
CCC=CN(C)C(=N)CC
|
| InChIKey |
ACGFYOUZJXAACF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174177
Similarity: 0.8661
Similarity to MM174177
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163232
Similarity: 0.7857
Similarity to MM163232
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355853
Similarity: 0.7462
Similarity to MM355853
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8546 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
