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DocumentationIdentifier: MM288998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288998 |
| SMILES |
CC(=O)OC=CC#CC#N
|
| InChIKey |
QJSYEQQSINIQLJ-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288997
Similarity: 0.7912
Similarity to MM288997
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8834 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289011
Similarity: 0.7579
Similarity to MM289011
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8623 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215853
Similarity: 0.7442
Similarity to MM215853
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
