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DocumentationIdentifier: MM325383
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325383 |
| SMILES |
C=C(C=O)CCC1(C)CC1
|
| InChIKey |
FOXXLGDJDBIKDF-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.32
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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MM209176
Similarity: 0.781
Similarity to MM209176
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM149519
Similarity: 0.7714
Similarity to MM149519
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM426048
Similarity: 0.7627
Similarity to MM426048
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8654 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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