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DocumentationIdentifier: MM393004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393004 |
| SMILES |
CCN(CCNC)C(C)=O
|
| InChIKey |
JSLOQAHLXYSTCK-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179840
Similarity: 0.8333
Similarity to MM179840
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71944
Similarity: 0.8222
Similarity to MM71944
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.9024 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419133
Similarity: 0.7184
Similarity to MM419133
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8362 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
