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DocumentationIdentifier: MM61704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61704 |
| SMILES |
CCC(O)(CC=O)C(C)O
|
| InChIKey |
GLRPNCKRNYJNBT-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132619
Similarity: 0.8839
Similarity to MM132619
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9384 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42168
Similarity: 0.75
Similarity to MM42168
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76601
Similarity: 0.7385
Similarity to MM76601
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8496 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
