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DocumentationIdentifier: MM382173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382173 |
| SMILES |
CCC=C(C#N)CCC#N
|
| InChIKey |
BUIZEAGHQBEZEA-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200134
Similarity: 0.8675
Similarity to MM200134
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.929 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179101
Similarity: 0.8313
Similarity to MM179101
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386076
Similarity: 0.8242
Similarity to MM386076
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.9036 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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