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DocumentationIdentifier: MM383229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383229 |
| SMILES |
C#CC=CC(=O)C1CN1
|
| InChIKey |
WDNJESFZAXJQBR-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403902
Similarity: 0.8207
Similarity to MM403902
| Tanimoto metric | 0.8207 |
|---|---|
| Cosine metric | 0.9059 |
| Dice metric | 0.9015 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379214
Similarity: 0.6977
Similarity to MM379214
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8219 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397404
Similarity: 0.6667
Similarity to MM397404
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8004 |
| Dice metric | 0.8 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
