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DocumentationIdentifier: MM282160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282160 |
| SMILES |
C=CCC(=C)C=CC=CC
|
| InChIKey |
MDDLQICECQUEGI-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158034
Similarity: 0.8485
Similarity to MM158034
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170184
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| Tanimoto metric | 0.8485 |
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| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM366096
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Similarity to MM366096
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9032 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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