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DocumentationIdentifier: MM52254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52254 |
| SMILES |
CCC(NC=O)C(C)=O
|
| InChIKey |
ALSSZNARMSEUNG-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34468
Similarity: 0.7692
Similarity to MM34468
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67995
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Similarity to MM67995
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76329
Similarity: 0.7521
Similarity to MM76329
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
