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DocumentationIdentifier: MM296971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296971 |
| SMILES |
CCC=C(C)C(C)=CC#N
|
| InChIKey |
LBUUGMXYTZIHEA-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175724
Similarity: 0.7865
Similarity to MM175724
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297005
Similarity: 0.7692
Similarity to MM297005
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8696 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267114
Similarity: 0.7228
Similarity to MM267114
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8391 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
