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DocumentationIdentifier: MM94034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94034 |
| SMILES |
N#CCC(CO)C(O)C#N
|
| InChIKey |
FFFTVRZEIOBAKA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388001
Similarity: 0.8835
Similarity to MM388001
| Tanimoto metric | 0.8835 |
|---|---|
| Cosine metric | 0.9382 |
| Dice metric | 0.9381 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50013
Similarity: 0.7813
Similarity to MM50013
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387997
Similarity: 0.7179
Similarity to MM387997
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8358 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
