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DocumentationIdentifier: MM378389
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378389 |
| SMILES |
CC#CC(C)N1CC1C=O
|
| InChIKey |
UHQQMKKULNDGEJ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
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
MM379495
Similarity: 0.7425
Similarity to MM379495
| Tanimoto metric | 0.7425 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8522 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365093
Similarity: 0.7292
Similarity to MM365093
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8434 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196500
Similarity: 0.7126
Similarity to MM196500
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8322 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
