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DocumentationIdentifier: MM291545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291545 |
| SMILES |
N#CCOCC(O)CC=O
|
| InChIKey |
BYGVPZINUDJIQB-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155876
Similarity: 0.8068
Similarity to MM155876
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48475
Similarity: 0.7614
Similarity to MM48475
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291621
Similarity: 0.6923
Similarity to MM291621
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8182 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
