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DocumentationIdentifier: MM394445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM394445 |
| SMILES |
CC(C)C(=O)C1CN1
|
| InChIKey |
MDLHLKFOVDIIEK-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM398855
Similarity: 0.7315
Similarity to MM398855
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8449 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100135
Similarity: 0.7013
Similarity to MM100135
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8244 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398887
Similarity: 0.6124
Similarity to MM398887
| Tanimoto metric | 0.6124 |
|---|---|
| Cosine metric | 0.7602 |
| Dice metric | 0.7596 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
