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DocumentationIdentifier: MM43700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43700 |
| SMILES |
C=CC(C#N)NC
|
| InChIKey |
PMWBMMIZHKYAIX-UHFFFAOYSA-N
|
| MW [Da] |
96.13
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116166
Similarity: 0.7869
Similarity to MM116166
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8871 |
| Dice metric | 0.8807 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116977
Similarity: 0.75
Similarity to MM116977
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116289
Similarity: 0.7273
Similarity to MM116289
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
