Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM252438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252438 |
| SMILES |
CC=CC(O)C=CC(N)=O
|
| InChIKey |
VANLTTLYPSSYBT-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM265021
Similarity: 0.7263
Similarity to MM265021
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321871
Similarity: 0.7131
Similarity to MM321871
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8325 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58150
Similarity: 0.6797
Similarity to MM58150
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.8093 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
