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DocumentationIdentifier: MM100135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100135 |
| SMILES |
CC(C=O)C(=O)C1CN1
|
| InChIKey |
YVRYDXJJMPCZSI-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394445
Similarity: 0.7013
Similarity to MM394445
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8244 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398855
Similarity: 0.513
Similarity to MM398855
| Tanimoto metric | 0.513 |
|---|---|
| Cosine metric | 0.7162 |
| Dice metric | 0.6781 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398887
Similarity: 0.4767
Similarity to MM398887
| Tanimoto metric | 0.4767 |
|---|---|
| Cosine metric | 0.6608 |
| Dice metric | 0.6457 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
