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DocumentationIdentifier: MM403299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403299 |
| SMILES |
C=COCCC(C#N)CF
|
| InChIKey |
BLPFPWSLDVXLLA-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.65
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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MM402869
Similarity: 0.7429
Similarity to MM402869
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8525 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166090
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Similarity to MM166090
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165723
Similarity: 0.6882
Similarity to MM165723
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8153 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
