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DocumentationIdentifier: MM58314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58314 |
| SMILES |
CC(=O)OC(C)C#CCN
|
| InChIKey |
MSCRWVNUPVWYGR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135922
Similarity: 0.8073
Similarity to MM135922
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158402
Similarity: 0.7248
Similarity to MM158402
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272920
Similarity: 0.7097
Similarity to MM272920
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8302 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
