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DocumentationIdentifier: MM300275
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300275 |
| SMILES |
CC(=CCN)C(O)C(C)C
|
| InChIKey |
XDMDTWZLLUUEQK-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175066
Similarity: 0.7869
Similarity to MM175066
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8871 |
| Dice metric | 0.8807 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300348
Similarity: 0.64
Similarity to MM300348
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.7805 |
| Dice metric | 0.7805 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300277
Similarity: 0.64
Similarity to MM300277
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.7805 |
| Dice metric | 0.7805 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
