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DocumentationIdentifier: MM402727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402727 |
| SMILES |
C#CCOCC(CC)CO
|
| InChIKey |
JZMULDFAESGCOU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301331
Similarity: 0.7935
Similarity to MM301331
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8848 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198556
Similarity: 0.7763
Similarity to MM198556
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165884
Similarity: 0.7763
Similarity to MM165884
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+576 more
