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DocumentationIdentifier: MM337189
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337189 |
| SMILES |
C#CCOC(CO)C(=O)O
|
| InChIKey |
AOBBFJURBUKSEE-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313000
Similarity: 0.8257
Similarity to MM313000
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-prop-2-ynoxypropanoic Acid
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Similarity to 2-prop-2-ynoxypropanoic Acid
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.899 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380360
Similarity: 0.75
Similarity to MM380360
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8571 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
