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DocumentationIdentifier: MM264897
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264897 |
| SMILES |
C=C(C#N)OC(=O)C#CC
|
| InChIKey |
ZEDINHQHAOXKDP-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
MM43306
Similarity: 0.814
Similarity to MM43306
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135952
Similarity: 0.7519
Similarity to MM135952
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8584 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237838
Similarity: 0.7103
Similarity to MM237838
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8306 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
