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DocumentationIdentifier: MM261411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261411 |
| SMILES |
CCC(N)CC(C)OC=O
|
| InChIKey |
KRGAZWTWJWDNAG-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272014
Similarity: 0.7244
Similarity to MM272014
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8402 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261414
Similarity: 0.7132
Similarity to MM261414
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8326 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261413
Similarity: 0.6742
Similarity to MM261413
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8054 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
