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DocumentationIdentifier: MM306003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306003 |
| SMILES |
CNCC=CN(C)C(C)=O
|
| InChIKey |
YYRZLHGCPHRWQT-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63796
Similarity: 0.7436
Similarity to MM63796
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8529 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395656
Similarity: 0.7373
Similarity to MM395656
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8488 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108638
Similarity: 0.7188
Similarity to MM108638
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
