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DocumentationIdentifier: MM410938
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410938 |
| SMILES |
C=CN(C=C)C(=N)CC#N
|
| InChIKey |
JOQKIPKGNQRVOF-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69109
Similarity: 0.8899
Similarity to MM69109
| Tanimoto metric | 0.8899 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351558
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| Tanimoto metric | 0.6599 |
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| Cosine metric | 0.7996 |
| Dice metric | 0.7951 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM69538
Similarity: 0.6422
Similarity to MM69538
| Tanimoto metric | 0.6422 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.7821 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
