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DocumentationIdentifier: MM144693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144693 |
| SMILES |
CCC(=O)OCC(C)F
|
| InChIKey |
NGCAYVFNXMPUEQ-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250925
Similarity: 0.8438
Similarity to MM250925
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254932
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| Tanimoto metric | 0.7941 |
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| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.25 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316754
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Similarity to MM316754
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+675 more
