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DocumentationIdentifier: MM238196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238196 |
| SMILES |
CC(C)=CC(=O)CC=CF
|
| InChIKey |
SSRWVGAOYDIETD-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
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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MM157418
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| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358125
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| Tanimoto metric | 0.7374 |
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| Cosine metric | 0.8491 |
| Dice metric | 0.8488 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238195
Similarity: 0.7234
Similarity to MM238195
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8395 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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