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DocumentationIdentifier: MM213856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213856 |
| SMILES |
N#CC=CCOCC=O
|
| InChIKey |
NEEXDNMQPXXDRE-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126080
Similarity: 0.7544
Similarity to MM126080
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411047
Similarity: 0.7403
Similarity to MM411047
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368570
Similarity: 0.7403
Similarity to MM368570
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
