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DocumentationIdentifier: MM268548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268548 |
| SMILES |
CC(C=O)C(C)CC(=N)N
|
| InChIKey |
GWFKXDSYBVKABX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272307
Similarity: 0.7091
Similarity to MM272307
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8298 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133530
Similarity: 0.6961
Similarity to MM133530
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM228118
Similarity: 0.6638
Similarity to MM228118
| Tanimoto metric | 0.6638 |
|---|---|
| Cosine metric | 0.7992 |
| Dice metric | 0.7979 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
