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DocumentationIdentifier: MM160479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160479 |
| SMILES |
C=C(CC)C(C)C(=N)N
|
| InChIKey |
DWSWQIVARPBKTC-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM254033
Similarity: 0.874
Similarity to MM254033
| Tanimoto metric | 0.874 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9328 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297443
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| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297748
Similarity: 0.8162
Similarity to MM297748
| Tanimoto metric | 0.8162 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8988 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
