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DocumentationIdentifier: MM400867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400867 |
| SMILES |
C=CC(C#N)N(C=C)C=O
|
| InChIKey |
MCYPRLGSEPAXLI-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197116
Similarity: 0.7029
Similarity to MM197116
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53315
Similarity: 0.6884
Similarity to MM53315
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23773
Similarity: 0.5868
Similarity to MM23773
| Tanimoto metric | 0.5868 |
|---|---|
| Cosine metric | 0.7403 |
| Dice metric | 0.7396 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
