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DocumentationIdentifier: MM343596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343596 |
| SMILES |
C=CC(C#N)C=CC(C)C
|
| InChIKey |
WHLBJUGGXJNGSP-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM321334
Similarity: 0.9118
Similarity to MM321334
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9538 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200772
Similarity: 0.9091
Similarity to MM200772
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425992
Similarity: 0.8986
Similarity to MM425992
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9466 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
