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DocumentationIdentifier: MM292599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292599 |
| SMILES |
COCC(O)C(C)CCO
|
| InChIKey |
BCEDRKKZWQJHQD-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84422
Similarity: 0.8542
Similarity to MM84422
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9213 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171844
Similarity: 0.8352
Similarity to MM171844
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241838
Similarity: 0.6726
Similarity to MM241838
| Tanimoto metric | 0.6726 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8042 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
