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DocumentationIdentifier: MM174288
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174288 |
| SMILES |
C=C(C#N)C(O)C=CC
|
| InChIKey |
CNDVTFOMPKIYHA-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35687
Similarity: 0.7525
Similarity to MM35687
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350859
Similarity: 0.5758
Similarity to MM350859
| Tanimoto metric | 0.5758 |
|---|---|
| Cosine metric | 0.7311 |
| Dice metric | 0.7308 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383618
Similarity: 0.5605
Similarity to MM383618
| Tanimoto metric | 0.5605 |
|---|---|
| Cosine metric | 0.7297 |
| Dice metric | 0.7184 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
