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DocumentationIdentifier: MM59656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59656 |
| SMILES |
CC(=O)CC(C)OCCO
|
| InChIKey |
NXLKBQUVIFSLOU-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135220
Similarity: 0.8469
Similarity to MM135220
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.9171 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64726
Similarity: 0.7143
Similarity to MM64726
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8333 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59683
Similarity: 0.7034
Similarity to MM59683
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8259 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
