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DocumentationIdentifier: MM392729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392729 |
| SMILES |
C#CCCC(C=O)C(C)C
|
| InChIKey |
MVWGUVIFHVWLIE-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
MM406908
Similarity: 0.8434
Similarity to MM406908
| 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: 0.7895
Similarity to MM199030
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387062
Similarity: 0.7317
Similarity to MM387062
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8451 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
