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DocumentationIdentifier: MM37656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37656 |
| SMILES |
C#CC(CC)NC=O
|
| InChIKey |
AZPQFVJSFYOHCO-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51340
Similarity: 0.7738
Similarity to MM51340
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178084
Similarity: 0.7738
Similarity to MM178084
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178360
Similarity: 0.7471
Similarity to MM178360
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
