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DocumentationIdentifier: MM406908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406908 |
| SMILES |
C#CCC(C)C(C=O)CC
|
| InChIKey |
IUKFAVTZZGUAPE-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392729
Similarity: 0.8434
Similarity to MM392729
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.915 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199030
Similarity: 0.7792
Similarity to MM199030
| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8759 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376902
Similarity: 0.7416
Similarity to MM376902
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8516 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
