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DocumentationIdentifier: MM253281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253281 |
| SMILES |
C=CCC(=O)CC=C(C)C
|
| InChIKey |
FNSWVLHMKKGFQD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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MM146380
Similarity: 0.913
Similarity to MM146380
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156918
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| Tanimoto metric | 0.7971 |
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| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324989
Similarity: 0.75
Similarity to MM324989
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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