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DocumentationIdentifier: MM400448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400448 |
| SMILES |
CC#CC(=O)C1CN1
|
| InChIKey |
AAYZZZUQCDHQBM-UHFFFAOYSA-N
|
| MW [Da] |
109.13
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM399147
Similarity: 0.9023
Similarity to MM399147
| Tanimoto metric | 0.9023 |
|---|---|
| Cosine metric | 0.9499 |
| Dice metric | 0.9486 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400394
Similarity: 0.8633
Similarity to MM400394
| Tanimoto metric | 0.8633 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403468
Similarity: 0.8571
Similarity to MM403468
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
