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DocumentationIdentifier: MM425061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425061 |
| SMILES |
CCC1(CCCOC)CC1
|
| InChIKey |
NKBYBTSCVVQJEV-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.6
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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MM176096
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| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM202785
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| Tanimoto metric | 0.8293 |
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| Cosine metric | 0.9106 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.95 |
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MM374500
Similarity: 0.8222
Similarity to MM374500
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.9024 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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