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DocumentationIdentifier: MM168848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168848 |
| SMILES |
C=C(C#N)OC=CC#N
|
| InChIKey |
XCBXGARHUOVAPU-UHFFFAOYSA-N
|
| MW [Da] |
120.11
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113738
Similarity: 0.8551
Similarity to MM113738
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106123
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Similarity to MM106123
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168789
Similarity: 0.7317
Similarity to MM168789
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8451 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
