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DocumentationIdentifier: MM37662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37662 |
| SMILES |
C#CC(CO)OC=O
|
| InChIKey |
WGDBAGCLUVNXBP-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
-0.85
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: 0.7471
Similarity to MM51428
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98009
Similarity: 0.6769
Similarity to MM98009
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8073 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44536
Similarity: 0.6701
Similarity to MM44536
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8025 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
