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DocumentationIdentifier: MM137660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137660 |
| SMILES |
CC(C)(C=O)C(F)C#N
|
| InChIKey |
FCTYGUOYXHXKCR-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM320229
Similarity: 0.8318
Similarity to MM320229
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02363
Similarity: 0.7753
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| Tanimoto metric | 0.7753 |
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| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320231
Similarity: 0.6846
Similarity to MM320231
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8128 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
