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DocumentationIdentifier: MM297748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297748 |
| SMILES |
C=CCC(=C)C(C)C(=N)N
|
| InChIKey |
SODHECWZAYPGTB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160479
Similarity: 0.8162
Similarity to MM160479
| Tanimoto metric | 0.8162 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8988 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254033
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Similarity to MM254033
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8441 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297443
Similarity: 0.7208
Similarity to MM297443
| Tanimoto metric | 0.7208 |
|---|---|
| Cosine metric | 0.838 |
| Dice metric | 0.8377 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
