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DocumentationIdentifier: MM282401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282401 |
| SMILES |
C=C(C=CC)C=CNC=O
|
| InChIKey |
DFGFEZYAUBUEAT-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.38
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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MM169998
Similarity: 0.7882
Similarity to MM169998
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429931
Similarity: 0.6893
Similarity to MM429931
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8161 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282400
Similarity: 0.6602
Similarity to MM282400
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.7953 |
| Dice metric | 0.7953 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
