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DocumentationIdentifier: MM76239
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76239 |
| SMILES |
C=CC(OC)C(C)NC
|
| InChIKey |
SNWZOYKMGQZHQA-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56474
Similarity: 0.6988
Similarity to MM56474
| Tanimoto metric | 0.6988 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8227 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73006
Similarity: 0.6983
Similarity to MM73006
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44011
Similarity: 0.6905
Similarity to MM44011
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
