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DocumentationIdentifier: MM177248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177248 |
| SMILES |
C=CCN1CC1(C)C=O
|
| InChIKey |
RCBVVGPMLMBGFP-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.45
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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MM373888
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| Tanimoto metric | 0.8941 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328534
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| Tanimoto metric | 0.8128 |
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| Cosine metric | 0.9016 |
| Dice metric | 0.8968 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM356216
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Similarity to MM356216
| Tanimoto metric | 0.7118 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8316 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
