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DocumentationIdentifier: MM93271
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93271 |
| SMILES |
C=C(C=O)C(C)NC=NC
|
| InChIKey |
BAEKPSMWLCKELB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162867
Similarity: 0.7063
Similarity to MM162867
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8279 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87093
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Similarity to MM87093
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8168 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM388254
Similarity: 0.6763
Similarity to MM388254
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8069 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
