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DocumentationIdentifier: MM261660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261660 |
| SMILES |
CC(C=O)CC(C)OC=O
|
| InChIKey |
CNKMIZOAOPKGQO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135135
Similarity: 0.7071
Similarity to MM135135
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8284 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233957
Similarity: 0.6695
Similarity to MM233957
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.802 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM276161
Similarity: 0.5935
Similarity to MM276161
| Tanimoto metric | 0.5935 |
|---|---|
| Cosine metric | 0.7449 |
| Dice metric | 0.7449 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
