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DocumentationIdentifier: MM383630
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383630 |
| SMILES |
N#CC(=CCF)C(O)C=O
|
| InChIKey |
WJNAQHQWLHFSQE-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52674
Similarity: 0.72
Similarity to MM52674
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51024
Similarity: 0.7067
Similarity to MM51024
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8281 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86510
Similarity: 0.6879
Similarity to MM86510
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8151 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
