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DocumentationIdentifier: MM66206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66206 |
| SMILES |
CC(=O)NC(C)C(C)CO
|
| InChIKey |
WJNHMDQEOKBOPT-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135228
Similarity: 0.7083
Similarity to MM135228
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304121
Similarity: 0.675
Similarity to MM304121
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.806 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57284
Similarity: 0.6338
Similarity to MM57284
| Tanimoto metric | 0.6338 |
|---|---|
| Cosine metric | 0.7763 |
| Dice metric | 0.7759 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
