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DocumentationIdentifier: MM262370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262370 |
| SMILES |
C=C(CCC)CC(C)CC
|
| InChIKey |
OHJYQJMAFPPQIG-UHFFFAOYSA-N
|
| MW [Da] |
140.27
Automatically obtained from RDkit software. |
| LogP |
3.78
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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Similarity: 0.9355
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| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261824
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| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.938 |
| Dice metric | 0.9375 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328350
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Similarity to MM328350
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9206 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
