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DocumentationIdentifier: MM146440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146440 |
| SMILES |
C=C(C=O)CC=C(C)C
|
| InChIKey |
DUUHRVFUBWSKJU-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.1
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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MM325480
Similarity: 0.825
Similarity to MM325480
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113705
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| Tanimoto metric | 0.8182 |
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| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM346335
Similarity: 0.7952
Similarity to MM346335
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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