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DocumentationIdentifier: MM43866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43866 |
| SMILES |
C=CC(C)=CC(C#N)NC
|
| InChIKey |
GIMXVYRCWZJVMB-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43772
Similarity: 0.7281
Similarity to MM43772
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76800
Similarity: 0.693
Similarity to MM76800
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378007
Similarity: 0.6288
Similarity to MM378007
| Tanimoto metric | 0.6288 |
|---|---|
| Cosine metric | 0.7735 |
| Dice metric | 0.7721 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
