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DocumentationIdentifier: MM309423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309423 |
| SMILES |
C=COC(=O)CN1CC1C
|
| InChIKey |
FASZJLHXVKVZBX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.38
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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MM184855
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| Tanimoto metric | 0.8782 |
|---|---|
| Cosine metric | 0.9371 |
| Dice metric | 0.9352 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8243 |
| Dice metric | 0.8092 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400661
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Similarity to MM400661
| Tanimoto metric | 0.5889 |
|---|---|
| Cosine metric | 0.7443 |
| Dice metric | 0.7413 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+7 more
