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DocumentationIdentifier: MM306964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306964 |
| SMILES |
C#CCN(C(C)=O)C(C)C
|
| InChIKey |
LGOUFHQEOAXUPR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179929
Similarity: 0.74
Similarity to MM179929
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24432
Similarity: 0.71
Similarity to MM24432
| Tanimoto metric | 0.71 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8304 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160320
Similarity: 0.7009
Similarity to MM160320
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8241 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+543 more
