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DocumentationIdentifier: MM58943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58943 |
| SMILES |
C#CC(CNC)OC=O
|
| InChIKey |
PPQCYARRIZOVMD-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60061
Similarity: 0.8545
Similarity to MM60061
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60610
Similarity: 0.7231
Similarity to MM60610
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8393 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67037
Similarity: 0.6596
Similarity to MM67037
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.7949 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
