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DocumentationIdentifier: MM295035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295035 |
| SMILES |
C#CCC(=C)C(C)C=CF
|
| InChIKey |
JSNJAGOFTANBJD-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174107
Similarity: 0.7477
Similarity to MM174107
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8556 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173497
Similarity: 0.7196
Similarity to MM173497
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381476
Similarity: 0.7165
Similarity to MM381476
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8349 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
