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DocumentationIdentifier: MM16419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16419 |
| SMILES |
C=CC#CCC(O)C(=O)O
|
| InChIKey |
ZEBLOZDHNIGIBD-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM16324
Similarity: 0.728
Similarity to MM16324
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8426 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34496
Similarity: 0.6545
Similarity to MM34496
| Tanimoto metric | 0.6545 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.7912 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153498
Similarity: 0.6364
Similarity to MM153498
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
