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DocumentationIdentifier: MM173048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173048 |
| SMILES |
C=C(CC#N)C(C)CC
|
| InChIKey |
CAJNIYDANUYCJK-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71821
Similarity: 0.8605
Similarity to MM71821
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242215
Similarity: 0.7957
Similarity to MM242215
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297278
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Similarity to MM297278
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
