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DocumentationIdentifier: MM113684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113684 |
| SMILES |
C=C(CO)OC=CC
|
| InChIKey |
BJZVJXYMJUXYAK-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
1.04
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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MM49105
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Similarity to MM49105
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168700
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| Tanimoto metric | 0.8088 |
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| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156903
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Similarity to MM156903
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+782 more
