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DocumentationIdentifier: MM313058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313058 |
| SMILES |
C=CC(C#N)(C=C)NC=O
|
| InChIKey |
XOGDHCXZKZAZJM-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139568
Similarity: 0.8509
Similarity to MM139568
| Tanimoto metric | 0.8509 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78193
Similarity: 0.7348
Similarity to MM78193
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8472 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243395
Similarity: 0.651
Similarity to MM243395
| Tanimoto metric | 0.651 |
|---|---|
| Cosine metric | 0.7907 |
| Dice metric | 0.7886 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
