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DocumentationIdentifier: MM40047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40047 |
| SMILES |
C#CC(C)C(=O)CNCC
|
| InChIKey |
VCFISEGUAYENBL-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34417
Similarity: 0.8624
Similarity to MM34417
| Tanimoto metric | 0.8624 |
|---|---|
| Cosine metric | 0.9286 |
| Dice metric | 0.9261 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26805
Similarity: 0.7769
Similarity to MM26805
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8744 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351594
Similarity: 0.776
Similarity to MM351594
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8739 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
