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DocumentationIdentifier: MM318617
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318617 |
| SMILES |
C=C(CC)CCC(=C)CF
|
| InChIKey |
OFOHORQRAXHFET-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144797
Similarity: 0.8133
Similarity to MM144797
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318622
Similarity: 0.7922
Similarity to MM318622
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8841 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166331
Similarity: 0.76
Similarity to MM166331
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
