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DocumentationIdentifier: MM195688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195688 |
| SMILES |
CCCC=CC1CN1C
|
| InChIKey |
HLJPLHYRSUSEHT-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.66
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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MM420830
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| Tanimoto metric | 0.9417 |
|---|---|
| Cosine metric | 0.9704 |
| Dice metric | 0.97 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124918
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| Cosine metric | 0.9471 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.27 |
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MM420836
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| Tanimoto metric | 0.8365 |
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| Cosine metric | 0.9111 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.47 |
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| AI: | 0
Total active interactions
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