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DocumentationIdentifier: MM179024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179024 |
| SMILES |
O=CC=C(CF)NC=O
|
| InChIKey |
DNSFTYWIDRWMHI-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385062
Similarity: 0.6879
Similarity to MM385062
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8151 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107914
Similarity: 0.6701
Similarity to MM107914
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8025 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306223
Similarity: 0.6554
Similarity to MM306223
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.7918 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
