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DocumentationIdentifier: MM348629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348629 |
| SMILES |
C#CCCC(F)C(C)C=C
|
| InChIKey |
LOZGLNPJBLYNRF-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
2.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172080
Similarity: 0.7879
Similarity to MM172080
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362410
Similarity: 0.6903
Similarity to MM362410
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8168 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156004
Similarity: 0.6768
Similarity to MM156004
| Tanimoto metric | 0.6768 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8072 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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