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DocumentationIdentifier: MM330308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330308 |
| SMILES |
C=CC(C#N)OC(=C)CC
|
| InChIKey |
WPMHWAJVMPWUTC-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150140
Similarity: 0.7787
Similarity to MM150140
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8756 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142289
Similarity: 0.7049
Similarity to MM142289
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142285
Similarity: 0.6721
Similarity to MM142285
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8039 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
