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DocumentationIdentifier: MM350899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350899 |
| SMILES |
C#CC(=C)C(O)C(=C)C#N
|
| InChIKey |
QHRXFNOTUGSVSR-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350859
Similarity: 0.6733
Similarity to MM350859
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8048 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350929
Similarity: 0.66
Similarity to MM350929
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.7952 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320554
Similarity: 0.5682
Similarity to MM320554
| Tanimoto metric | 0.5682 |
|---|---|
| Cosine metric | 0.7253 |
| Dice metric | 0.7246 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
