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DocumentationIdentifier: MM387479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387479 |
| SMILES |
C#CCCC(C=O)OC=O
|
| InChIKey |
PYNBEDDUKJIQLI-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156009
Similarity: 0.6916
Similarity to MM156009
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8177 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272470
Similarity: 0.6087
Similarity to MM272470
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7572 |
| Dice metric | 0.7568 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305330
Similarity: 0.5986
Similarity to MM305330
| Tanimoto metric | 0.5986 |
|---|---|
| Cosine metric | 0.7501 |
| Dice metric | 0.7489 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
