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DocumentationIdentifier: MM350905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350905 |
| SMILES |
C#CC(=O)N(C)C(=C)C=C
|
| InChIKey |
QMJBQZUQQYJBOC-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47466
Similarity: 0.7563
Similarity to MM47466
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8612 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160701
Similarity: 0.7125
Similarity to MM160701
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300097
Similarity: 0.6595
Similarity to MM300097
| Tanimoto metric | 0.6595 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7948 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
