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DocumentationIdentifier: MM413508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413508 |
| SMILES |
C=CC(=CC)COCCC
|
| InChIKey |
WFXPWAPDXCYOOG-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200088
Similarity: 0.907
Similarity to MM200088
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414418
Similarity: 0.8478
Similarity to MM414418
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9176 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377105
Similarity: 0.7692
Similarity to MM377105
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8696 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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