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DocumentationIdentifier: MM77928
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77928 |
| SMILES |
N#CCC(CO)(CO)CO
|
| InChIKey |
JFEZYEDPIUIPIJ-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
MM42159
Similarity: 0.9375
Similarity to MM42159
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77927
Similarity: 0.7317
Similarity to MM77927
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8451 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37482
Similarity: 0.6875
Similarity to MM37482
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
