Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM358894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358894 |
| SMILES |
C=CC#CC(=O)NCC=O
|
| InChIKey |
HQLRCFJQFKYVFL-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158525
Similarity: 0.8316
Similarity to MM158525
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46537
Similarity: 0.8211
Similarity to MM46537
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84038
Similarity: 0.7524
Similarity to MM84038
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8587 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
