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DocumentationIdentifier: MM305870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305870 |
| SMILES |
C#CCN(C=CC)C(C)=N
|
| InChIKey |
NVOMSTCWLAMIHK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305872
Similarity: 0.6513
Similarity to MM305872
| Tanimoto metric | 0.6513 |
|---|---|
| Cosine metric | 0.7889 |
| Dice metric | 0.7888 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307190
Similarity: 0.6387
Similarity to MM307190
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7797 |
| Dice metric | 0.7795 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395449
Similarity: 0.6383
Similarity to MM395449
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7813 |
| Dice metric | 0.7792 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
