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DocumentationIdentifier: MM215852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215852 |
| SMILES |
O=CC#CC=COC=O
|
| InChIKey |
VZCMJALMUOQVBU-UHFFFAOYSA-N
|
| MW [Da] |
124.1
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126786
Similarity: 0.8197
Similarity to MM126786
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126572
Similarity: 0.8033
Similarity to MM126572
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215849
Similarity: 0.7576
Similarity to MM215849
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8621 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
