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DocumentationIdentifier: MM44656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44656 |
| SMILES |
CN(C)C(C)(C=O)C=O
|
| InChIKey |
NXTBDDNGOONGBP-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196765
Similarity: 0.726
Similarity to MM196765
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8413 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49343
Similarity: 0.6812
Similarity to MM49343
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8103 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213004
Similarity: 0.6273
Similarity to MM213004
| Tanimoto metric | 0.6273 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.7709 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
