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DocumentationIdentifier: MM111535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111535 |
| SMILES |
CCC(C)C(C)C#N
|
| InChIKey |
ALZYMJVIVGSIHN-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38568
Similarity: 0.8636
Similarity to MM38568
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9268 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160004
Similarity: 0.8077
Similarity to MM160004
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179687
Similarity: 0.7925
Similarity to MM179687
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
