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DocumentationIdentifier: MM253217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253217 |
| SMILES |
C=C(CC=C(C)C)CCC
|
| InChIKey |
MSKPOJSMSZZKTI-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.7
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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MM146370
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| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156815
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| Tanimoto metric | 0.8235 |
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| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324952
Similarity: 0.7342
Similarity to MM324952
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8467 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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