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DocumentationIdentifier: MM266066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266066 |
| SMILES |
C#CC=C(C)OC(=O)CO
|
| InChIKey |
XSZBELOIXIYSEK-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM273775
Similarity: 0.6908
Similarity to MM273775
| Tanimoto metric | 0.6908 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8171 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65722
Similarity: 0.6779
Similarity to MM65722
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.808 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266249
Similarity: 0.6419
Similarity to MM266249
| Tanimoto metric | 0.6419 |
|---|---|
| Cosine metric | 0.7821 |
| Dice metric | 0.7819 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
