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DocumentationIdentifier: MM287967
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287967 |
| SMILES |
CC(C)COC=CNC=O
|
| InChIKey |
YSWWLDQXWLVJEF-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.88
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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MM214842
Similarity: 0.8714
Similarity to MM214842
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451421
Similarity: 0.7821
Similarity to MM451421
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8777 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363571
Similarity: 0.7011
Similarity to MM363571
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8243 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
