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DocumentationIdentifier: MM460610
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460610 |
| SMILES |
CC1C(C(=O)CO)N1C
|
| InChIKey |
IMMRZDYMYLUJLE-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194417
Similarity: 0.8144
Similarity to MM194417
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8977 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460926
Similarity: 0.7544
Similarity to MM460926
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400446
Similarity: 0.7023
Similarity to MM400446
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.838 |
| Dice metric | 0.8251 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
