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DocumentationIdentifier: MM243896
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243896 |
| SMILES |
CCC(C)(CC=O)C(C)=O
|
| InChIKey |
SZMGOWXNCYKQSZ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
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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MM132723
Similarity: 0.8415
Similarity to MM132723
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244041
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Similarity to MM244041
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8543 |
| Dice metric | 0.8523 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM233385
Similarity: 0.6827
Similarity to MM233385
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.8114 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
