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DocumentationIdentifier: MM126980
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126980 |
| SMILES |
CCCCNC1CC1
|
| InChIKey |
JCGRNPRBHMFNHS-UHFFFAOYSA-N
|
| MW [Da] |
113.2
Automatically obtained from RDkit software. |
| LogP |
1.54
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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MM218067
Similarity: 0.8909
Similarity to MM218067
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM218100
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| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM102138
Similarity: 0.7959
Similarity to MM102138
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 99.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
