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DocumentationIdentifier: MM64342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64342 |
| SMILES |
CC(CN)OC=O
|
| InChIKey |
XXXIKSAJQGJOFY-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103019
Similarity: 0.7333
Similarity to MM103019
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67037
Similarity: 0.7097
Similarity to MM67037
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115971
Similarity: 0.6667
Similarity to MM115971
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
