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DocumentationIdentifier: MM108411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108411 |
| SMILES |
N#CCC(=O)C(F)F
|
| InChIKey |
KNAXQRABRBXMGC-UHFFFAOYSA-N
|
| MW [Da] |
119.07
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132131
Similarity: 0.8052
Similarity to MM132131
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-fluoro-3-oxobutanenitrile
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| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98549
Similarity: 0.6935
Similarity to MM98549
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.819 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
