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DocumentationIdentifier: MM389297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389297 |
| SMILES |
C=C(C#N)C(C#N)C(C)C
|
| InChIKey |
JNEVIBNEYMCWLU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160424
Similarity: 0.7455
Similarity to MM160424
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378664
Similarity: 0.688
Similarity to MM378664
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8152 |
| MW: | 131.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378660
Similarity: 0.6493
Similarity to MM378660
| Tanimoto metric | 0.6493 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7873 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
