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DocumentationIdentifier: MM15978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15978 |
| SMILES |
N#CCCOC(=O)CC=O
|
| InChIKey |
AELBRNJCMNZSHJ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02857
Similarity: 0.7614
Similarity to MM02857
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8645 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291981
Similarity: 0.7245
Similarity to MM291981
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.8402 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291979
Similarity: 0.7041
Similarity to MM291979
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8263 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
