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DocumentationIdentifier: MM383152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383152 |
| SMILES |
CCC=CCN1CC1C=O
|
| InChIKey |
ZROCFPWDCLCBAD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382818
Similarity: 0.9242
Similarity to MM382818
| Tanimoto metric | 0.9242 |
|---|---|
| Cosine metric | 0.9614 |
| Dice metric | 0.9606 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383154
Similarity: 0.8299
Similarity to MM383154
| Tanimoto metric | 0.8299 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9071 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382604
Similarity: 0.7803
Similarity to MM382604
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
