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DocumentationIdentifier: MM162925
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162925 |
| SMILES |
CC=CCC(=O)C(C)F
|
| InChIKey |
MCDQTTVASUMSSI-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.88
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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MM304414
Similarity: 0.9158
Similarity to MM304414
| Tanimoto metric | 0.9158 |
|---|---|
| Cosine metric | 0.957 |
| Dice metric | 0.956 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM255947
Similarity: 0.8529
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| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
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|---|---|---|---|---|---|
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Total active interactions
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MM304700
Similarity: 0.8131
Similarity to MM304700
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
