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DocumentationIdentifier: MM88682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88682 |
| SMILES |
C=CN=CNCCC#N
|
| InChIKey |
KAXYCLHAHBQQAE-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM456596
Similarity: 0.8611
Similarity to MM456596
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456598
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| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM125844
Similarity: 0.7903
Similarity to MM125844
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8829 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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