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DocumentationIdentifier: MM295637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295637 |
| SMILES |
C=CC=CC=C(F)C(C)=O
|
| InChIKey |
QWVGCDVWTWHDMQ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.17
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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MM164005
Similarity: 0.8835
Similarity to MM164005
| Tanimoto metric | 0.8835 |
|---|---|
| Cosine metric | 0.9399 |
| Dice metric | 0.9381 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256183
Similarity: 0.7778
Similarity to MM256183
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.875 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM361408
Similarity: 0.75
Similarity to MM361408
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8571 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
