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DocumentationIdentifier: MM301042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301042 |
| SMILES |
CCCC(=O)C(F)=C(C)C
|
| InChIKey |
VLGOGJOVIBJMSP-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161612
Similarity: 0.8106
Similarity to MM161612
| Tanimoto metric | 0.8106 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8954 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174860
Similarity: 0.7955
Similarity to MM174860
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354613
Similarity: 0.7107
Similarity to MM354613
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8309 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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