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DocumentationIdentifier: MM172078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172078 |
| SMILES |
N#CC(O)C(O)CCO
|
| InChIKey |
PHBHYGOMXOULBU-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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MM268367
Similarity: 0.7941
Similarity to MM268367
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362429
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| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8757 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348363
Similarity: 0.7714
Similarity to MM348363
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
