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DocumentationIdentifier: MM358663
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358663 |
| SMILES |
C#CC(=C)C(O)C#CC=C
|
| InChIKey |
NVWNCHQYFWMDNS-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174661
Similarity: 0.8609
Similarity to MM174661
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358632
Similarity: 0.811
Similarity to MM358632
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8957 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163613
Similarity: 0.8
Similarity to MM163613
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
