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DocumentationIdentifier: MM238414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238414 |
| SMILES |
CCNCC(C)=CC(N)=O
|
| InChIKey |
GXQXVVOAMHISTD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136459
Similarity: 0.85
Similarity to MM136459
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51367
Similarity: 0.7265
Similarity to MM51367
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8416 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295036
Similarity: 0.7009
Similarity to MM295036
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8241 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
