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DocumentationIdentifier: MM280476
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280476 |
| SMILES |
C=C(CC#N)OC=CC#N
|
| InChIKey |
RUPYZQQOPPCVOF-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156991
Similarity: 0.8636
Similarity to MM156991
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168698
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| Tanimoto metric | 0.8295 |
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| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280375
Similarity: 0.8021
Similarity to MM280375
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8902 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
