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DocumentationIdentifier: MM274048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274048 |
| SMILES |
C=CCC(C=O)C=C(F)F
|
| InChIKey |
LSTOWCFFDIXNKL-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
2.16
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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MM150653
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| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM178255
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| Tanimoto metric | 0.7957 |
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| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275804
Similarity: 0.7248
Similarity to MM275804
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8404 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
