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DocumentationIdentifier: MM153409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153409 |
| SMILES |
CCC#CCCC(C)N
|
| InChIKey |
BMJSDJYUVYLYLU-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.53
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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MM105943
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| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.14 |
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Total active interactions
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MM370179
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| Tanimoto metric | 0.8387 |
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| Cosine metric | 0.9158 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+743 more
