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DocumentationIdentifier: MM296558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296558 |
| SMILES |
C=CCC(=O)C(C)=CC#N
|
| InChIKey |
SLLQQBPFXSJMDN-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.6
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: 0.8083
Similarity to MM175521
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174900
Similarity: 0.7583
Similarity to MM174900
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296330
Similarity: 0.7319
Similarity to MM296330
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8452 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
