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DocumentationIdentifier: MM72178
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72178 |
| SMILES |
CCC(C)(CCN)NC=O
|
| InChIKey |
JKJSADUJLFYYMY-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
MM132381
Similarity: 0.7551
Similarity to MM132381
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311290
Similarity: 0.6939
Similarity to MM311290
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91034
Similarity: 0.6607
Similarity to MM91034
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7957 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
