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DocumentationIdentifier: MM301971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301971 |
| SMILES |
C#CCCCN(C)C(C)=O
|
| InChIKey |
MSYJLGLMUBKKHI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162197
Similarity: 0.8247
Similarity to MM162197
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403696
Similarity: 0.7822
Similarity to MM403696
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.8778 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78799
Similarity: 0.7477
Similarity to MM78799
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8556 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+637 more
