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DocumentationIdentifier: MM447995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447995 |
| SMILES |
CCCC=CC1CN1CC
|
| InChIKey |
GTPUFWAHTXIDCL-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.05
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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MM217068
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| Tanimoto metric | 0.9187 |
|---|---|
| Cosine metric | 0.9585 |
| Dice metric | 0.9576 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.813 |
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| Cosine metric | 0.9017 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
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Total active interactions
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MM195688
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Similarity to MM195688
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 125.22 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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