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DocumentationIdentifier: MM410103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410103 |
| SMILES |
C#CC(OC)C(=C)OC=O
|
| InChIKey |
SXHFNRAAWAGWMB-UHFFFAOYSA-N
|
| MW [Da] |
140.14
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
MM50502
Similarity: 0.7801
Similarity to MM50502
| Tanimoto metric | 0.7801 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173171
Similarity: 0.7092
Similarity to MM173171
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381583
Similarity: 0.5914
Similarity to MM381583
| Tanimoto metric | 0.5914 |
|---|---|
| Cosine metric | 0.7441 |
| Dice metric | 0.7432 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
