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DocumentationIdentifier: MM111591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111591 |
| SMILES |
CC(CO)N(C)C=O
|
| InChIKey |
RHOXVSORFNWNPZ-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53211
Similarity: 0.8611
Similarity to MM53211
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24533
Similarity: 0.7294
Similarity to MM24533
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8435 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97916
Similarity: 0.6774
Similarity to MM97916
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
