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DocumentationIdentifier: MM412859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412859 |
| SMILES |
C#CCOCC(=CF)CC
|
| InChIKey |
UNJDGHLUJXCZJM-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199787
Similarity: 0.8119
Similarity to MM199787
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412212
Similarity: 0.7455
Similarity to MM412212
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8542 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376611
Similarity: 0.7273
Similarity to MM376611
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8421 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
