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DocumentationIdentifier: MM200129
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200129 |
| SMILES |
C=CCCC(C=C)=CF
|
| InChIKey |
GKTNWJJNKQEXHM-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416739
Similarity: 0.8947
Similarity to MM416739
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116508
Similarity: 0.8235
Similarity to MM116508
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416733
Similarity: 0.8095
Similarity to MM416733
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
