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DocumentationIdentifier: MM306313
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306313 |
| SMILES |
CC(CC=O)CCC(N)=O
|
| InChIKey |
BJCMISWPHDFGRE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM346057
Similarity: 0.9041
Similarity to MM346057
| Tanimoto metric | 0.9041 |
|---|---|
| Cosine metric | 0.9508 |
| Dice metric | 0.9496 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250606
Similarity: 0.8608
Similarity to MM250606
| Tanimoto metric | 0.8608 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9252 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335279
Similarity: 0.8571
Similarity to MM335279
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9231 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
