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DocumentationIdentifier: MM86029
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86029 |
| SMILES |
CC(CC(C)(C)N)NC=O
|
| InChIKey |
KPJKPHKMLALIFK-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80896
Similarity: 0.8288
Similarity to MM80896
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9064 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316401
Similarity: 0.697
Similarity to MM316401
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92500
Similarity: 0.6952
Similarity to MM92500
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8202 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
