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DocumentationIdentifier: MM144690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144690 |
| SMILES |
CC(N)COC(=O)CO
|
| InChIKey |
ZDFLLWMLPOEJSH-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250928
Similarity: 0.8544
Similarity to MM250928
| Tanimoto metric | 0.8544 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9215 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316719
Similarity: 0.8381
Similarity to MM316719
| Tanimoto metric | 0.8381 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316717
Similarity: 0.7857
Similarity to MM316717
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
