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DocumentationIdentifier: MM329455
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329455 |
| SMILES |
N#CC(CO)OC(=O)CO
|
| InChIKey |
HSXLDOCPZHLSRE-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
-1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150054
Similarity: 0.8087
Similarity to MM150054
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42977
Similarity: 0.7478
Similarity to MM42977
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80136
Similarity: 0.688
Similarity to MM80136
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8152 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
