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DocumentationIdentifier: MM357875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357875 |
| SMILES |
C#CC=CC(=O)COC=O
|
| InChIKey |
XTFNEWKHXFFSAL-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157993
Similarity: 0.8283
Similarity to MM157993
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60242
Similarity: 0.7018
Similarity to MM60242
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8247 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357823
Similarity: 0.678
Similarity to MM357823
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8081 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
