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DocumentationIdentifier: MM355865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355865 |
| SMILES |
CN(C=CCO)C(=O)CO
|
| InChIKey |
VBUUQMQYYNGMDG-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM95116
Similarity: 0.75
Similarity to MM95116
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8571 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356175
Similarity: 0.7214
Similarity to MM356175
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8382 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168512
Similarity: 0.6752
Similarity to MM168512
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8061 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
