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DocumentationIdentifier: MM141830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141830 |
| SMILES |
N#CC(O)CC(O)C=O
|
| InChIKey |
VHXBORYAKXGBHW-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
MM36198
Similarity: 0.7073
Similarity to MM36198
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36199
Similarity: 0.6951
Similarity to MM36199
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327065
Similarity: 0.6949
Similarity to MM327065
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
