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DocumentationIdentifier: MM173066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173066 |
| SMILES |
N#CCC(=O)C(O)CO
|
| InChIKey |
GMDNJBYCQLBSDY-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34553
Similarity: 0.7083
Similarity to MM34553
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297291
Similarity: 0.7007
Similarity to MM297291
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.824 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111716
Similarity: 0.6979
Similarity to MM111716
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8221 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
