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DocumentationIdentifier: MM67365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67365 |
| SMILES |
CC(=O)OC(=CCO)CO
|
| InChIKey |
GYOSNYMHOYMKHI-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150474
Similarity: 0.8125
Similarity to MM150474
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273743
Similarity: 0.671
Similarity to MM273743
| Tanimoto metric | 0.671 |
|---|---|
| Cosine metric | 0.8031 |
| Dice metric | 0.8031 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273775
Similarity: 0.6624
Similarity to MM273775
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.7971 |
| Dice metric | 0.7969 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
