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DocumentationIdentifier: MM382329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382329 |
| SMILES |
C#CCOC(C=O)=CNC
|
| InChIKey |
OOHPIYHUDAZNPF-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.1
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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MM179126
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| Tanimoto metric | 0.8142 |
|---|---|
| Cosine metric | 0.9023 |
| Dice metric | 0.8976 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54883
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Similarity to MM54883
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8756 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274411
Similarity: 0.6917
Similarity to MM274411
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8178 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
