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DocumentationIdentifier: MM313044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313044 |
| SMILES |
C=CCC(C=C)(C=C)C=C
|
| InChIKey |
PPVQDVAXAFIPJY-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.11
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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MM139545
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| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM310182
Similarity: 0.7429
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| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8525 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
