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DocumentationIdentifier: MM161140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161140 |
| SMILES |
C=C(CC)C(=C)C(C)C
|
| InChIKey |
OGLLKVOLISNOQK-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
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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MM254202
Similarity: 0.9706
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| Tanimoto metric | 0.9706 |
|---|---|
| Cosine metric | 0.9852 |
| Dice metric | 0.9851 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8182 |
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| Cosine metric | 0.9045 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM223957
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Similarity to MM223957
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+449 more
