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DocumentationIdentifier: MM382180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382180 |
| SMILES |
CC=CC(C)N1CC1C=O
|
| InChIKey |
RKSUOCYNTUUQRJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM381813
Similarity: 0.8303
Similarity to MM381813
| Tanimoto metric | 0.8303 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382818
Similarity: 0.7394
Similarity to MM382818
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383152
Similarity: 0.7368
Similarity to MM383152
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8485 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
