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DocumentationIdentifier: MM57348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57348 |
| SMILES |
CC(=O)OC=CC#CCN
|
| InChIKey |
GIFAQEPFSXPTQR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.03
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: 0.8
Similarity to MM288997
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.8889 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289011
Similarity: 0.7849
Similarity to MM289011
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8798 |
| Dice metric | 0.8795 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215807
Similarity: 0.7412
Similarity to MM215807
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
