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DocumentationIdentifier: MM114118
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114118 |
| SMILES |
C=CC(F)C=COC
|
| InChIKey |
MOZOBJWUYMUILW-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
1.67
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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MM169703
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169621
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM97543
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Similarity to MM97543
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
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| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
