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DocumentationIdentifier: MM170039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170039 |
| SMILES |
C#CC(=O)C=COC=C
|
| InChIKey |
DZJROKZZJDNJSI-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37112
Similarity: 0.8553
Similarity to MM37112
| Tanimoto metric | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170029
Similarity: 0.7143
Similarity to MM170029
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.8333 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49638
Similarity: 0.7065
Similarity to MM49638
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.828 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
