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DocumentationIdentifier: MM299905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299905 |
| SMILES |
CC#CCC=CC(=O)NC
|
| InChIKey |
BECANPCVJYIWTQ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298402
Similarity: 0.871
Similarity to MM298402
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308744
Similarity: 0.7172
Similarity to MM308744
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8353 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49086
Similarity: 0.703
Similarity to MM49086
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8256 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
