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DocumentationIdentifier: MM350735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350735 |
| SMILES |
C#CC(=C)C(O)C(=O)CC
|
| InChIKey |
BCQCMGZMFQXABR-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47455
Similarity: 0.773
Similarity to MM47455
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47375
Similarity: 0.7055
Similarity to MM47375
| Tanimoto metric | 0.7055 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8273 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350901
Similarity: 0.6872
Similarity to MM350901
| Tanimoto metric | 0.6872 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.8146 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
