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DocumentationIdentifier: MM294570
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294570 |
| SMILES |
CC=CC#CC(=O)N(C)C
|
| InChIKey |
CHBYYYJAWVQJSS-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23789
Similarity: 0.8542
Similarity to MM23789
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49802
Similarity: 0.8125
Similarity to MM49802
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368795
Similarity: 0.75
Similarity to MM368795
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8571 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
