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DocumentationIdentifier: MM35687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35687 |
| SMILES |
C=CC(O)C(=C)C#N
|
| InChIKey |
BMYGIGISSOIPLR-UHFFFAOYSA-N
|
| MW [Da] |
109.13
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174288
Similarity: 0.7525
Similarity to MM174288
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98575
Similarity: 0.7368
Similarity to MM98575
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350859
Similarity: 0.7103
Similarity to MM350859
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8306 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
