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DocumentationIdentifier: MM274267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274267 |
| SMILES |
C=CC=C(C#N)C=C(C)C
|
| InChIKey |
VQPPGSLWMTVAHJ-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
MM387484
Similarity: 0.8172
Similarity to MM387484
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8994 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150773
Similarity: 0.8161
Similarity to MM150773
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336574
Similarity: 0.7822
Similarity to MM336574
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8778 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
