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DocumentationIdentifier: MM255904
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255904 |
| SMILES |
C=C(C)C(C)CC=C(C)C
|
| InChIKey |
CHGRWGYJOYKPSL-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
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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| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304078
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| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8831 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM345852
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Similarity to MM345852
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.88 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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