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DocumentationIdentifier: MM145283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145283 |
| SMILES |
C=C(C)CCC(C)=CF
|
| InChIKey |
QRHPYTVBSZNSJK-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
3.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167928
Similarity: 0.8387
Similarity to MM167928
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9135 |
| Dice metric | 0.9123 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113809
Similarity: 0.8
Similarity to MM113809
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113859
Similarity: 0.8
Similarity to MM113859
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+502 more
