Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM178043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178043 |
| SMILES |
C=CC(CC#N)OC=O
|
| InChIKey |
YFVVYIYYUGIVKY-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116088
Similarity: 0.7111
Similarity to MM116088
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107274
Similarity: 0.6667
Similarity to MM107274
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172791
Similarity: 0.6364
Similarity to MM172791
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.7778 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
