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DocumentationIdentifier: MM137648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137648 |
| SMILES |
C=CC(C)C(C)(C)C=C
|
| InChIKey |
TZHIMJGXTPKCGD-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.02
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 | 0.963 |
|---|---|
| Cosine metric | 0.9813 |
| Dice metric | 0.9811 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8148 |
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| Cosine metric | 0.8996 |
| Dice metric | 0.898 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM103071
Similarity: 0.7692
Similarity to MM103071
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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