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DocumentationIdentifier: MM33085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33085 |
| SMILES |
C=C(C)NC(=O)CF
|
| InChIKey |
LOWNOTXUSOLNHY-UHFFFAOYSA-N
|
| MW [Da] |
117.12
Automatically obtained from RDkit software. |
| LogP |
0.61
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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MM43188
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| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142732
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| Tanimoto metric | 0.7379 |
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| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142591
Similarity: 0.7308
Similarity to MM142591
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+602 more
