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DocumentationIdentifier: MM348361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348361 |
| SMILES |
CCC(O)C(O)C(O)C#N
|
| InChIKey |
MPKLOXKGRJDQRL-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160025
Similarity: 0.8077
Similarity to MM160025
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348363
Similarity: 0.7563
Similarity to MM348363
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8612 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49992
Similarity: 0.7308
Similarity to MM49992
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
