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DocumentationIdentifier: MM296330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296330 |
| SMILES |
CCCC(=O)C(C)=CC#N
|
| InChIKey |
IRIZTJYVIIVTPP-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175521
Similarity: 0.8151
Similarity to MM175521
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174855
Similarity: 0.7563
Similarity to MM174855
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8612 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296558
Similarity: 0.7319
Similarity to MM296558
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8452 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
