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DocumentationIdentifier: MM321885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321885 |
| SMILES |
C=C(C=CC(C)C#N)OC
|
| InChIKey |
VOABHZHJHFVTAQ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169879
Similarity: 0.7576
Similarity to MM169879
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145701
Similarity: 0.7172
Similarity to MM145701
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281977
Similarity: 0.6637
Similarity to MM281977
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7979 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
