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DocumentationIdentifier: MM141650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141650 |
| SMILES |
N#CC(O)CC(O)CO
|
| InChIKey |
PXHSPDBSGURILY-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM64640
Similarity: 0.7551
Similarity to MM64640
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348363
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| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8268 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104199
Similarity: 0.7027
Similarity to MM104199
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+520 more
