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DocumentationIdentifier: MM312821
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312821 |
| SMILES |
C=CC(C=C)(CC)CC#N
|
| InChIKey |
RHQBFEAKBPDMET-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139388
Similarity: 0.8462
Similarity to MM139388
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312585
Similarity: 0.7952
Similarity to MM312585
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8859 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139547
Similarity: 0.7692
Similarity to MM139547
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
