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DocumentationIdentifier: MM383724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383724 |
| SMILES |
C=CC=C(C#N)C(O)C#N
|
| InChIKey |
SLCWSNJRXMZSGA-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53754
Similarity: 0.7754
Similarity to MM53754
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8735 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175333
Similarity: 0.7391
Similarity to MM175333
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361172
Similarity: 0.6776
Similarity to MM361172
| Tanimoto metric | 0.6776 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8078 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
