Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM89744
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89744 |
| SMILES |
C=CC(=CCC=O)NC=N
|
| InChIKey |
CXVWVTLLENQTHK-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274438
Similarity: 0.6866
Similarity to MM274438
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8142 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90076
Similarity: 0.6619
Similarity to MM90076
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7965 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386344
Similarity: 0.6619
Similarity to MM386344
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7965 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
