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DocumentationIdentifier: MM342748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342748 |
| SMILES |
CCC(C)CC(N)=O
|
| InChIKey |
SIMLCFANWCDGAF-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM344421
Similarity: 0.9032
Similarity to MM344421
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135171
Similarity: 0.8485
Similarity to MM135171
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299283
Similarity: 0.7778
Similarity to MM299283
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
