Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM138362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138362 |
| SMILES |
COCCC(C)(F)C#N
|
| InChIKey |
UBBVGRJCLQABRP-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM309279
Similarity: 0.8738
Similarity to MM309279
| Tanimoto metric | 0.8738 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9326 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28545
Similarity: 0.7778
Similarity to MM28545
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308462
Similarity: 0.687
Similarity to MM308462
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8145 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
