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DocumentationIdentifier: MM355845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355845 |
| SMILES |
CNCCC(=N)NCC#N
|
| InChIKey |
WKXYPFJZZHXBRC-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365020
Similarity: 0.7826
Similarity to MM365020
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.878 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156116
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Similarity to MM156116
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236974
Similarity: 0.7692
Similarity to MM236974
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8696 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
