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DocumentationIdentifier: MM153519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153519 |
| SMILES |
C#CC#CCCC(=O)O
|
| InChIKey |
FXBYBACGKUGVSV-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288382
Similarity: 0.9167
Similarity to MM288382
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105953
Similarity: 0.8333
Similarity to MM105953
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288335
Similarity: 0.7867
Similarity to MM288335
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8806 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
