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DocumentationIdentifier: MM347638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347638 |
| SMILES |
C=CC(=CC=C(C)C)OC
|
| InChIKey |
FQMWCTMBMQFJNC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
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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MM202038
Similarity: 0.8065
Similarity to MM202038
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146754
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| Tanimoto metric | 0.7419 |
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| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM405400
Similarity: 0.713
Similarity to MM405400
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8324 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
