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DocumentationIdentifier: MM137544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137544 |
| SMILES |
CCC(C)(O)C(O)C=O
|
| InChIKey |
ATXPAAVLDHQVQG-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76601
Similarity: 0.9035
Similarity to MM76601
| Tanimoto metric | 0.9035 |
|---|---|
| Cosine metric | 0.9505 |
| Dice metric | 0.9493 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58724
Similarity: 0.7687
Similarity to MM58724
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132619
Similarity: 0.7265
Similarity to MM132619
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8416 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
