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DocumentationIdentifier: MM404984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404984 |
| SMILES |
C#CC(=O)CCN1CC1C
|
| InChIKey |
DTPGHNRHVQPDFW-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
MM405590
Similarity: 0.7698
Similarity to MM405590
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438279
Similarity: 0.6901
Similarity to MM438279
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8167 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450964
Similarity: 0.6779
Similarity to MM450964
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.808 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
