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DocumentationIdentifier: MM77355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77355 |
| SMILES |
O=CNCC(O)(C=O)C=O
|
| InChIKey |
CWFPMBURCOYBHO-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
-2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41898
Similarity: 0.8704
Similarity to MM41898
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228166
Similarity: 0.6957
Similarity to MM228166
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8205 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308743
Similarity: 0.6835
Similarity to MM308743
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.812 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+16 more
