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DocumentationIdentifier: MM295068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295068 |
| SMILES |
C=C(C)C(C)=COCCO
|
| InChIKey |
ARHMBQXDBOHSOU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM437986
Similarity: 0.8163
Similarity to MM437986
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.8989 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295191
Similarity: 0.7647
Similarity to MM295191
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8667 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295195
Similarity: 0.729
Similarity to MM295195
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8432 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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