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DocumentationIdentifier: MM288293
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288293 |
| SMILES |
CCCC#CCCC(=O)O
|
| InChIKey |
AINBQNWFRDIHRB-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153463
Similarity: 0.9677
Similarity to MM153463
| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
7-hydroxyhept-4-ynoic Acid
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Similarity to 7-hydroxyhept-4-ynoic Acid
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9524 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105953
Similarity: 0.8871
Similarity to MM105953
| Tanimoto metric | 0.8871 |
|---|---|
| Cosine metric | 0.9419 |
| Dice metric | 0.9402 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
