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DocumentationIdentifier: MM193930
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM193930 |
| SMILES |
CCCC(=O)CN1CC1
|
| InChIKey |
GJGAEJVLQVKUNR-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM121038
Similarity: 0.8235
Similarity to MM121038
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461605
Similarity: 0.6885
Similarity to MM461605
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8156 |
| Dice metric | 0.8155 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153995
Similarity: 0.6855
Similarity to MM153995
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8134 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
