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DocumentationIdentifier: MM253222
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253222 |
| SMILES |
CCCC(=O)CC=C(F)F
|
| InChIKey |
OBUVKKQARFZBPZ-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.53
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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| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156821
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| Tanimoto metric | 0.8171 |
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| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253283
Similarity: 0.7727
Similarity to MM253283
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8718 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
