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DocumentationIdentifier: MM232318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232318 |
| SMILES |
COCCOCC(C)(F)F
|
| InChIKey |
VOODPANYGZLZFK-UHFFFAOYSA-N
|
| MW [Da] |
154.16
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 |
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MM40197
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| Tanimoto metric | 0.9067 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.951 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102732
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| Tanimoto metric | 0.7333 |
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| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM220872
Similarity: 0.7312
Similarity to MM220872
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8447 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
