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DocumentationIdentifier: MM247875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247875 |
| SMILES |
CC(C)C(F)=CN(C)C=O
|
| InChIKey |
DUJGQLRDPXYOPZ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.54
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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MM143485
Similarity: 0.8273
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| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267535
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| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8387 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267463
Similarity: 0.7054
Similarity to MM267463
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8273 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
