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DocumentationIdentifier: MM314453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314453 |
| SMILES |
CC1(C)CN1C(C=O)C=O
|
| InChIKey |
WKURZRHMLWTJKQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420759
Similarity: 0.9308
Similarity to MM420759
| Tanimoto metric | 0.9308 |
|---|---|
| Cosine metric | 0.9648 |
| Dice metric | 0.9641 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418721
Similarity: 0.7394
Similarity to MM418721
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8502 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437367
Similarity: 0.7262
Similarity to MM437367
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8414 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
