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DocumentationIdentifier: MM381813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381813 |
| SMILES |
C=CC(C)N1CC1C=O
|
| InChIKey |
SFBOFKGTZKQYDK-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382180
Similarity: 0.8303
Similarity to MM382180
| Tanimoto metric | 0.8303 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382604
Similarity: 0.7518
Similarity to MM382604
| Tanimoto metric | 0.7518 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8583 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328534
Similarity: 0.7326
Similarity to MM328534
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8457 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
