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DocumentationIdentifier: MM413460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413460 |
| SMILES |
C=CC(=CC)CNCCC
|
| InChIKey |
PSQFUOCULBUIQJ-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200085
Similarity: 0.907
Similarity to MM200085
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414289
Similarity: 0.8298
Similarity to MM414289
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.907 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342081
Similarity: 0.78
Similarity to MM342081
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8764 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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