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DocumentationIdentifier: MM244522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244522 |
| SMILES |
C=C(C)C(C)(C=O)C(C)=O
|
| InChIKey |
ATFKWTFYRFFNNY-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
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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MM132950
Similarity: 0.7463
Similarity to MM132950
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308215
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Similarity to MM308215
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8017 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM140095
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| Tanimoto metric | 0.6493 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.7873 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
