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DocumentationIdentifier: MM179840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179840 |
| SMILES |
CCN(CCN)C(C)=O
|
| InChIKey |
HGSKWEFIEPPMAC-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108220
Similarity: 0.8571
Similarity to MM108220
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393004
Similarity: 0.8333
Similarity to MM393004
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305245
Similarity: 0.7292
Similarity to MM305245
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
