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DocumentationIdentifier: MM447736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447736 |
| SMILES |
C=CCCCCNC=NC
|
| InChIKey |
WLIIEHHYWAXJCZ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213084
Similarity: 0.8333
Similarity to MM213084
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM447515
Similarity: 0.7571
Similarity to MM447515
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8618 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM213313
Similarity: 0.7222
Similarity to MM213313
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8387 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+501 more
