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DocumentationIdentifier: MM386045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386045 |
| SMILES |
CCCC(COC=O)NC
|
| InChIKey |
WPQRWDKPCDBYMT-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392485
Similarity: 0.696
Similarity to MM392485
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8208 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386047
Similarity: 0.688
Similarity to MM386047
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8152 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355443
Similarity: 0.6441
Similarity to MM355443
| Tanimoto metric | 0.6441 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7835 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
