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DocumentationIdentifier: MM360303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360303 |
| SMILES |
CC(=CCCN)CNC=O
|
| InChIKey |
VDDVWFCWAAKJBK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM312203
Similarity: 0.7653
Similarity to MM312203
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8671 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159460
Similarity: 0.7619
Similarity to MM159460
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87675
Similarity: 0.7471
Similarity to MM87675
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8553 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
