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DocumentationIdentifier: MM297447
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297447 |
| SMILES |
CCC(OC)C(O)C(C)O
|
| InChIKey |
NXQJUDIMGHKHDJ-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93947
Similarity: 0.8261
Similarity to MM93947
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9048 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159987
Similarity: 0.7748
Similarity to MM159987
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297451
Similarity: 0.7559
Similarity to MM297451
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.861 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
