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DocumentationIdentifier: MM386737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386737 |
| SMILES |
C=CC(CCC)COCC
|
| InChIKey |
KCMDLKHXBXSFCN-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198831
Similarity: 0.7889
Similarity to MM198831
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402963
Similarity: 0.7766
Similarity to MM402963
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8743 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318646
Similarity: 0.7255
Similarity to MM318646
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8409 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
