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DocumentationIdentifier: MM385491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385491 |
| SMILES |
C#CC(OC=O)=C(C)C#N
|
| InChIKey |
JDZVJXCBWIIYGQ-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175920
Similarity: 0.7092
Similarity to MM175920
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52068
Similarity: 0.695
Similarity to MM52068
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87283
Similarity: 0.5917
Similarity to MM87283
| Tanimoto metric | 0.5917 |
|---|---|
| Cosine metric | 0.7444 |
| Dice metric | 0.7435 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
