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DocumentationIdentifier: MM253579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253579 |
| SMILES |
C=CCC(C)=CNC(C)=O
|
| InChIKey |
DXSKNSUFRUGKIK-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.6
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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MM146635
Similarity: 0.83
Similarity to MM146635
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346949
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Similarity to MM346949
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8691 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253523
Similarity: 0.7328
Similarity to MM253523
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8458 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
