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DocumentationIdentifier: MM93554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93554 |
| SMILES |
O=CCCC#CC(=O)CO
|
| InChIKey |
TYXZMTOVZJMSQY-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49730
Similarity: 0.8701
Similarity to MM49730
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367819
Similarity: 0.8313
Similarity to MM367819
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.9079 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367989
Similarity: 0.7882
Similarity to MM367989
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8816 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
