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DocumentationIdentifier: MM369411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369411 |
| SMILES |
C=CC=COCC(=C)CF
|
| InChIKey |
JYBCTAPEAHXHES-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167427
Similarity: 0.8929
Similarity to MM167427
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368943
Similarity: 0.8172
Similarity to MM368943
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8994 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260543
Similarity: 0.8065
Similarity to MM260543
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8929 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
