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DocumentationIdentifier: MM135474
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135474 |
| SMILES |
C=C(CCF)CC(C)=O
|
| InChIKey |
LQSNVTAQGIJVRQ-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.88
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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MM263024
Similarity: 0.8351
Similarity to MM263024
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223222
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| Cosine metric | 0.9045 |
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| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263026
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Similarity to MM263026
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
