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DocumentationIdentifier: MM429125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429125 |
| SMILES |
C#CC(=O)C1CN1CCC
|
| InChIKey |
ORTSBZATTONIIE-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
MM427473
Similarity: 0.9091
Similarity to MM427473
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429264
Similarity: 0.8044
Similarity to MM429264
| Tanimoto metric | 0.8044 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8916 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM444136
Similarity: 0.7835
Similarity to MM444136
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8786 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
