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DocumentationIdentifier: MM417218
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417218 |
| SMILES |
CC=CCOC(C=O)=CN
|
| InChIKey |
FSXQBLZVWVGEJS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.58
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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MM54868
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Similarity to MM54868
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167604
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| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8295 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM417227
Similarity: 0.7073
Similarity to MM417227
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8286 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
