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DocumentationIdentifier: MM49501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49501 |
| SMILES |
N#CCC=CC(O)C#N
|
| InChIKey |
BFLQLBKPMCHQNT-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114103
Similarity: 0.9016
Similarity to MM114103
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145453
Similarity: 0.8551
Similarity to MM145453
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9229 |
| Dice metric | 0.9219 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33638
Similarity: 0.8197
Similarity to MM33638
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
