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DocumentationIdentifier: MM398887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM398887 |
| SMILES |
CCCC(=O)C1CN1
|
| InChIKey |
HAWNWGFUOCXSCI-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM399145
Similarity: 0.885
Similarity to MM399145
| Tanimoto metric | 0.885 |
|---|---|
| Cosine metric | 0.9407 |
| Dice metric | 0.939 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398855
Similarity: 0.79
Similarity to MM398855
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8827 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410063
Similarity: 0.6642
Similarity to MM410063
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7982 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
