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DocumentationIdentifier: MM16324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16324 |
| SMILES |
C#CC#CCC(O)C(=O)O
|
| InChIKey |
IWSUGFDABLXLHW-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM16419
Similarity: 0.728
Similarity to MM16419
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8426 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34496
Similarity: 0.6792
Similarity to MM34496
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.809 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153519
Similarity: 0.6226
Similarity to MM153519
| Tanimoto metric | 0.6226 |
|---|---|
| Cosine metric | 0.7891 |
| Dice metric | 0.7674 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
