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DocumentationIdentifier: MM143517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143517 |
| SMILES |
C=CC(C)=CC(O)C#N
|
| InChIKey |
WLCRUEKAOXLTDQ-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
MM338048
Similarity: 0.8936
Similarity to MM338048
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267938
Similarity: 0.8317
Similarity to MM267938
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338054
Similarity: 0.7368
Similarity to MM338054
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+577 more
