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DocumentationIdentifier: MM355443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355443 |
| SMILES |
CCCCC(N)COC=O
|
| InChIKey |
DBQGPMRADOPPFI-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236511
Similarity: 0.7308
Similarity to MM236511
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8444 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112687
Similarity: 0.6932
Similarity to MM112687
| Tanimoto metric | 0.6932 |
|---|---|
| Cosine metric | 0.8326 |
| Dice metric | 0.8188 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362188
Similarity: 0.6552
Similarity to MM362188
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7917 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
