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DocumentationIdentifier: MM220896
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220896 |
| SMILES |
C=C(C)COCC(C)(C)O
|
| InChIKey |
SFMVCCDZNSAOMY-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133025
Similarity: 0.7791
Similarity to MM133025
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM131565
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| Tanimoto metric | 0.7674 |
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| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM257772
Similarity: 0.67
Similarity to MM257772
| Tanimoto metric | 0.67 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.8024 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+588 more
