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DocumentationIdentifier: MM279330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279330 |
| SMILES |
C=CCOCC(=O)C=CC
|
| InChIKey |
USSVTLMYSDMOOH-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.33
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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MM166959
Similarity: 0.8023
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| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279253
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| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8876 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279331
Similarity: 0.7979
Similarity to MM279331
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8876 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
