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DocumentationIdentifier: MM43266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43266 |
| SMILES |
C#CC(=C)OC(=O)CO
|
| InChIKey |
SECIMSYDPPXPJQ-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65284
Similarity: 0.8417
Similarity to MM65284
| Tanimoto metric | 0.8417 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104679
Similarity: 0.7525
Similarity to MM104679
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33109
Similarity: 0.7129
Similarity to MM33109
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8324 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
