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DocumentationIdentifier: MM379813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379813 |
| SMILES |
CCC(C=O)CC1CN1C
|
| InChIKey |
ABBQBOJKJYEEHI-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373748
Similarity: 0.7974
Similarity to MM373748
| Tanimoto metric | 0.7974 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440503
Similarity: 0.7485
Similarity to MM440503
| Tanimoto metric | 0.7485 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8561 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM277487
Similarity: 0.6971
Similarity to MM277487
| Tanimoto metric | 0.6971 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8215 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
