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DocumentationIdentifier: MM42159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42159 |
| SMILES |
CC(CO)(CO)CC#N
|
| InChIKey |
AZUXSCGIYCLOQJ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77928
Similarity: 0.9375
Similarity to MM77928
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77927
Similarity: 0.7692
Similarity to MM77927
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37482
Similarity: 0.7333
Similarity to MM37482
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
