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DocumentationIdentifier: MM180436
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180436 |
| SMILES |
C=CCC(=CN)C(C)=O
|
| InChIKey |
WDGCYENDIMUUHH-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM395026
Similarity: 0.8276
Similarity to MM395026
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38879
Similarity: 0.7292
Similarity to MM38879
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390588
Similarity: 0.6809
Similarity to MM390588
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8101 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
