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DocumentationIdentifier: MM387484
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387484 |
| SMILES |
CC=CC=C(C#N)C=CC
|
| InChIKey |
UNOFGRJEDWKJTC-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
MM384148
Similarity: 0.8667
Similarity to MM384148
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9286 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM202070
Similarity: 0.8293
Similarity to MM202070
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274267
Similarity: 0.8172
Similarity to MM274267
| 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
|
+320 more
