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DocumentationIdentifier: MM309843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309843 |
| SMILES |
C#CCC(C)=CC1CN1C
|
| InChIKey |
DKBJPIVOEUHUOC-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.27
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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MM185047
Similarity: 0.8255
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| Tanimoto metric | 0.8255 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9044 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.791 |
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| Cosine metric | 0.8849 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM408754
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|---|---|
| Cosine metric | 0.8737 |
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| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+150 more
