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DocumentationIdentifier: MM285008
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM285008 |
| SMILES |
CNC(=O)C(C)N1CC1
|
| InChIKey |
XJZXOTCVDPMDNB-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM295171
Similarity: 0.763
Similarity to MM295171
| Tanimoto metric | 0.763 |
|---|---|
| Cosine metric | 0.8735 |
| Dice metric | 0.8655 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299857
Similarity: 0.5989
Similarity to MM299857
| Tanimoto metric | 0.5989 |
|---|---|
| Cosine metric | 0.7499 |
| Dice metric | 0.7491 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282448
Similarity: 0.5926
Similarity to MM282448
| Tanimoto metric | 0.5926 |
|---|---|
| Cosine metric | 0.7698 |
| Dice metric | 0.7442 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+8 more
