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DocumentationIdentifier: MM373888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373888 |
| SMILES |
CC=CCN1CC1(C)C=O
|
| InChIKey |
VMLZCADOBYFCHB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.84
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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MM177248
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Similarity to MM177248
| Tanimoto metric | 0.8941 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328534
Similarity: 0.7415
Similarity to MM328534
| Tanimoto metric | 0.7415 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8515 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382818
Similarity: 0.7176
Similarity to MM382818
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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