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DocumentationIdentifier: MM386574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386574 |
| SMILES |
C#CCC(CC)CCOC
|
| InChIKey |
LNCLKVDFYGXBQB-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156030
Similarity: 0.9242
Similarity to MM156030
| Tanimoto metric | 0.9242 |
|---|---|
| Cosine metric | 0.9614 |
| Dice metric | 0.9606 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8026 |
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| Cosine metric | 0.8911 |
| Dice metric | 0.8905 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM344492
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| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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