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DocumentationIdentifier: MM250685
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250685 |
| SMILES |
CCNC(C)COC(C)=O
|
| InChIKey |
KUYSZIZWJMFAQK-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
MM144350
Similarity: 0.8447
Similarity to MM144350
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250798
Similarity: 0.7417
Similarity to MM250798
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8517 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254643
Similarity: 0.7395
Similarity to MM254643
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8502 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
