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DocumentationIdentifier: MM213710
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213710 |
| SMILES |
CNCCOC=CC#N
|
| InChIKey |
XULGRERRTJONRW-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM448464
Similarity: 0.8857
Similarity to MM448464
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287562
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Similarity to MM287562
| Tanimoto metric | 0.8732 |
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| Cosine metric | 0.9345 |
| Dice metric | 0.9323 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM125788
Similarity: 0.7742
Similarity to MM125788
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
