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DocumentationIdentifier: MM358927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358927 |
| SMILES |
C=CC#CC(=O)OCC=C
|
| InChIKey |
ZXRJLUGWWONNSL-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157574
Similarity: 0.8617
Similarity to MM157574
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158531
Similarity: 0.8511
Similarity to MM158531
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358985
Similarity: 0.7843
Similarity to MM358985
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8791 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
