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DocumentationIdentifier: MM266090
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266090 |
| SMILES |
CC1(C#N)NC1C(=O)CF
|
| InChIKey |
HDNQWGVCKBUMAA-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382272
Similarity: 0.7754
Similarity to MM382272
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8735 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM337163
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| Tanimoto metric | 0.7184 |
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| Cosine metric | 0.8384 |
| Dice metric | 0.8362 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM260849
Similarity: 0.6912
Similarity to MM260849
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8174 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
