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DocumentationIdentifier: MM192853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM192853 |
| SMILES |
CC1(CO)NC1C(=O)CO
|
| InChIKey |
IMCUPLXBQRLICO-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460557
Similarity: 0.7442
Similarity to MM460557
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194067
Similarity: 0.686
Similarity to MM194067
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8138 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231947
Similarity: 0.6845
Similarity to MM231947
| Tanimoto metric | 0.6845 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8127 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
