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DocumentationIdentifier: MM357113
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357113 |
| SMILES |
C=CC(=C)C(=O)C=CNC
|
| InChIKey |
MILGDXUIFFSZPE-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174520
Similarity: 0.7931
Similarity to MM174520
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163425
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Similarity to MM163425
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM25967
Similarity: 0.6894
Similarity to MM25967
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8161 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
