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DocumentationIdentifier: MM460648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460648 |
| SMILES |
C=CC1(C)NC1C(=O)CO
|
| InChIKey |
ZTSGFAUVQPLNGU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382282
Similarity: 0.7839
Similarity to MM382282
| Tanimoto metric | 0.7839 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385984
Similarity: 0.7322
Similarity to MM385984
| Tanimoto metric | 0.7322 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8454 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460557
Similarity: 0.7033
Similarity to MM460557
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8258 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+28 more
