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DocumentationIdentifier: MM73837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73837 |
| SMILES |
C#CCCC(N)C(O)C=C
|
| InChIKey |
GDYLKAIUAFJBEE-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
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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MM172066
Similarity: 0.7851
Similarity to MM172066
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM362403
Similarity: 0.6934
Similarity to MM362403
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.819 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM362404
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Similarity to MM362404
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8155 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
