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DocumentationIdentifier: MM51248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51248 |
| SMILES |
C#CCC(CF)NC=O
|
| InChIKey |
RZPSGNNOKBPOMU-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305171
Similarity: 0.7627
Similarity to MM305171
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243104
Similarity: 0.7087
Similarity to MM243104
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376411
Similarity: 0.6475
Similarity to MM376411
| Tanimoto metric | 0.6475 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.786 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
