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DocumentationIdentifier: MM388001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388001 |
| SMILES |
CC(O)C(CO)C(O)C#N
|
| InChIKey |
MKPIJNURSNRQRY-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94034
Similarity: 0.8835
Similarity to MM94034
| Tanimoto metric | 0.8835 |
|---|---|
| Cosine metric | 0.9382 |
| Dice metric | 0.9381 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387997
Similarity: 0.7059
Similarity to MM387997
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8276 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376099
Similarity: 0.6885
Similarity to MM376099
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8155 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
