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DocumentationIdentifier: MM433087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433087 |
| SMILES |
CCCC1NC1(C#N)C#N
|
| InChIKey |
PAPGFUBETJETPE-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177106
Similarity: 0.875
Similarity to MM177106
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373230
Similarity: 0.8131
Similarity to MM373230
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.8972 |
| Dice metric | 0.8969 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373331
Similarity: 0.7762
Similarity to MM373331
| Tanimoto metric | 0.7762 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.874 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
