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DocumentationIdentifier: MM49978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49978 |
| SMILES |
CCC(O)C(C)OC=O
|
| InChIKey |
DXTQSZQTZKJMLW-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM296711
Similarity: 0.7632
Similarity to MM296711
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292762
Similarity: 0.7373
Similarity to MM292762
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34391
Similarity: 0.7011
Similarity to MM34391
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8243 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
