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DocumentationIdentifier: MM379746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379746 |
| SMILES |
CCC#CC(CO)OC=O
|
| InChIKey |
NWCMCGKQIARUEK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51428
Similarity: 0.8614
Similarity to MM51428
| Tanimoto metric | 0.8614 |
|---|---|
| Cosine metric | 0.9281 |
| Dice metric | 0.9255 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379857
Similarity: 0.7311
Similarity to MM379857
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8447 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89479
Similarity: 0.719
Similarity to MM89479
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8365 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
