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DocumentationIdentifier: MM396825
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396825 |
| SMILES |
C#CCC=C(C=O)C(C)O
|
| InChIKey |
RIENCMNBRQMGGE-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM396773
Similarity: 0.7103
Similarity to MM396773
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8306 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396741
Similarity: 0.7055
Similarity to MM396741
| Tanimoto metric | 0.7055 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8273 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275981
Similarity: 0.6959
Similarity to MM275981
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8207 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
