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DocumentationIdentifier: MM337978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337978 |
| SMILES |
N#CC(C#N)=CC(O)CO
|
| InChIKey |
YMGKWXLNZHBVNV-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143361
Similarity: 0.8969
Similarity to MM143361
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44830
Similarity: 0.7526
Similarity to MM44830
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266495
Similarity: 0.7436
Similarity to MM266495
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8529 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
