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DocumentationIdentifier: MM144946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144946 |
| SMILES |
CC(=O)CNC(=O)CO
|
| InChIKey |
RWZXKOKPGOTHIC-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM318770
Similarity: 0.835
Similarity to MM318770
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318768
Similarity: 0.7748
Similarity to MM318768
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319565
Similarity: 0.7544
Similarity to MM319565
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
