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DocumentationIdentifier: MM114117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114117 |
| SMILES |
C=CC(O)C=COC
|
| InChIKey |
SYIXUHSJKSGTTC-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM359286
Similarity: 0.8983
Similarity to MM359286
| Tanimoto metric | 0.8983 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9464 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169702
Similarity: 0.8281
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| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169620
Similarity: 0.803
Similarity to MM169620
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
