Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM280648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280648 |
| SMILES |
CC(=CC(N)=O)C(N)=O
|
| InChIKey |
HWYGBPPFPNZPGQ-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108866
Similarity: 0.8023
Similarity to MM108866
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298573
Similarity: 0.7907
Similarity to MM298573
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161782
Similarity: 0.7653
Similarity to MM161782
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8671 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
