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DocumentationIdentifier: MM273699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273699 |
| SMILES |
CCC(=CC#N)NC(C)=O
|
| InChIKey |
CGSXXIOALBGTDZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150410
Similarity: 0.7664
Similarity to MM150410
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8678 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333310
Similarity: 0.6625
Similarity to MM333310
| Tanimoto metric | 0.6625 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.797 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273191
Similarity: 0.6543
Similarity to MM273191
| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.7912 |
| Dice metric | 0.791 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
