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DocumentationIdentifier: MM353300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353300 |
| SMILES |
C#CC(=O)C(C)OC=CC
|
| InChIKey |
DKJKEYYCVGGQNN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172860
Similarity: 0.8413
Similarity to MM172860
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15808
Similarity: 0.6752
Similarity to MM15808
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8068 |
| Dice metric | 0.8061 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94955
Similarity: 0.6503
Similarity to MM94955
| Tanimoto metric | 0.6503 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7881 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
