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DocumentationIdentifier: MM155899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155899 |
| SMILES |
CCCNC(C)CC=O
|
| InChIKey |
XZFFFZHBEORGFS-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62157
Similarity: 0.9683
Similarity to MM62157
| Tanimoto metric | 0.9683 |
|---|---|
| Cosine metric | 0.984 |
| Dice metric | 0.9839 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107227
Similarity: 0.8689
Similarity to MM107227
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165840
Similarity: 0.8413
Similarity to MM165840
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9138 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
