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DocumentationIdentifier: MM406722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406722 |
| SMILES |
CCC(C=O)C(C)COC
|
| InChIKey |
CVZNZGJAFVRRCG-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392545
Similarity: 0.7813
Similarity to MM392545
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8772 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172101
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| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8535 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198806
Similarity: 0.7111
Similarity to MM198806
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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