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DocumentationIdentifier: MM347686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347686 |
| SMILES |
C=CC(C#N)=CC=C(C)C
|
| InChIKey |
KXOWJLDFYXZFHU-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM202070
Similarity: 0.9189
Similarity to MM202070
| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405745
Similarity: 0.8974
Similarity to MM405745
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9459 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405739
Similarity: 0.8974
Similarity to MM405739
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9459 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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