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DocumentationIdentifier: MM363864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363864 |
| SMILES |
CC(C#N)CCCOC=O
|
| InChIKey |
RPJATSKLQOTJDS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165936
Similarity: 0.8219
Similarity to MM165936
| Tanimoto metric | 0.8219 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9023 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213091
Similarity: 0.7534
Similarity to MM213091
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291518
Similarity: 0.7326
Similarity to MM291518
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8456 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+424 more
