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DocumentationIdentifier: MM299772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299772 |
| SMILES |
C=C(C)C(=O)C(C)C=CF
|
| InChIKey |
YFNOYMFFRNETOG-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM161066
Similarity: 0.748
Similarity to MM161066
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8559 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM353615
Similarity: 0.7417
Similarity to MM353615
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8517 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298887
Similarity: 0.6835
Similarity to MM298887
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.812 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
