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DocumentationIdentifier: MM291401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291401 |
| SMILES |
C=CCC(C)CNCCC
|
| InChIKey |
VSASTJGSVSCRAF-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.2
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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MM155867
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| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM250556
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| Tanimoto metric | 0.8158 |
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| Cosine metric | 0.8994 |
| Dice metric | 0.8986 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291523
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| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8986 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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