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DocumentationIdentifier: MM260796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260796 |
| SMILES |
CC(=CCNC(C)C)CO
|
| InChIKey |
LNNYGPDELLNFNC-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170981
Similarity: 0.8873
Similarity to MM170981
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436142
Similarity: 0.8077
Similarity to MM436142
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.8936 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153124
Similarity: 0.7324
Similarity to MM153124
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+568 more
