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DocumentationIdentifier: MM202012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202012 |
| SMILES |
C=CC(=CC=CC)CC
|
| InChIKey |
IBLRHDHIRXNDQT-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
3.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM347589
Similarity: 0.9254
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| Tanimoto metric | 0.9254 |
|---|---|
| Cosine metric | 0.962 |
| Dice metric | 0.9612 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405334
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| Tanimoto metric | 0.9254 |
|---|---|
| Cosine metric | 0.962 |
| Dice metric | 0.9612 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM405444
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Similarity to MM405444
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+676 more
