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DocumentationIdentifier: MM241177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241177 |
| SMILES |
CC(C)(C=O)C=COC=O
|
| InChIKey |
KDNIFWGHQUPTKX-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.9
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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MM49506
Similarity: 0.8375
Similarity to MM49506
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138868
Similarity: 0.825
Similarity to MM138868
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241175
Similarity: 0.7416
Similarity to MM241175
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8516 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
