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DocumentationIdentifier: MM404301
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404301 |
| SMILES |
CC1CN1CC(=O)O
|
| InChIKey |
HLXBHRCFFYSJJE-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400661
Similarity: 0.8154
Similarity to MM400661
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM184855
Similarity: 0.7737
Similarity to MM184855
| Tanimoto metric | 0.7737 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8724 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400663
Similarity: 0.7571
Similarity to MM400663
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8618 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+7 more
