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DocumentationIdentifier: MM208994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208994 |
| SMILES |
CC(C=O)NCC1CC1
|
| InChIKey |
JACUCYROPSHSRI-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM345596
Similarity: 0.8469
Similarity to MM345596
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.9171 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127028
Similarity: 0.747
Similarity to MM127028
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121190
Similarity: 0.6867
Similarity to MM121190
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8143 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
