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DocumentationIdentifier: MM345296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345296 |
| SMILES |
C=C(CC=COC)CCO
|
| InChIKey |
QNKFSNPRVQKZGW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.48
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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MM280297
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| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.84 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373135
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Similarity to MM373135
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8153 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373527
Similarity: 0.6813
Similarity to MM373527
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.8105 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
