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DocumentationIdentifier: MM369360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369360 |
| SMILES |
CNC(=O)C#CC#CC=O
|
| InChIKey |
SXLPLKIOIZNTFV-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369298
Similarity: 0.9481
Similarity to MM369298
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.9733 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170878
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| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369386
Similarity: 0.8554
Similarity to MM369386
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9221 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
