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DocumentationIdentifier: MM198920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198920 |
| SMILES |
CCC(C#N)CCC#N
|
| InChIKey |
CFNZJVQAYXODOE-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387271
Similarity: 0.8333
Similarity to MM387271
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116000
Similarity: 0.8
Similarity to MM116000
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198784
Similarity: 0.7857
Similarity to MM198784
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.88 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
