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DocumentationIdentifier: MM38394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38394 |
| SMILES |
CCC(C#N)=CC#N
|
| InChIKey |
HWPFQLJNZQAOAF-UHFFFAOYSA-N
|
| MW [Da] |
106.13
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51980
Similarity: 0.8358
Similarity to MM51980
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 117.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27657
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 95.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116787
Similarity: 0.7619
Similarity to MM116787
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8649 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
