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DocumentationIdentifier: MM353322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353322 |
| SMILES |
CCC(O)C(=O)CC=CF
|
| InChIKey |
XZPZAPGODISRHJ-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50269
Similarity: 0.7759
Similarity to MM50269
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353546
Similarity: 0.6906
Similarity to MM353546
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.817 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231476
Similarity: 0.6301
Similarity to MM231476
| Tanimoto metric | 0.6301 |
|---|---|
| Cosine metric | 0.7734 |
| Dice metric | 0.7731 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
