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DocumentationIdentifier: MM350745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350745 |
| SMILES |
C=C(CCCF)C(C)C=O
|
| InChIKey |
HHZQPRJXVGRYRG-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
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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MM173226
Similarity: 0.78
Similarity to MM173226
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350741
Similarity: 0.7339
Similarity to MM350741
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8466 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351081
Similarity: 0.7222
Similarity to MM351081
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8387 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
