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DocumentationIdentifier: MM272452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272452 |
| SMILES |
CCCC(C#N)NC(C)=O
|
| InChIKey |
GNMPNRWZFIKEIO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150029
Similarity: 0.7951
Similarity to MM150029
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51278
Similarity: 0.6885
Similarity to MM51278
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8155 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275122
Similarity: 0.6759
Similarity to MM275122
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8066 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
