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DocumentationIdentifier: MM272648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272648 |
| SMILES |
C#CC(CC=C)CC(=N)N
|
| InChIKey |
QAQANMICCXQTIL-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150094
Similarity: 0.75
Similarity to MM150094
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135264
Similarity: 0.6964
Similarity to MM135264
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272306
Similarity: 0.65
Similarity to MM272306
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.7948 |
| Dice metric | 0.7879 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
