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DocumentationIdentifier: MM388787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388787 |
| SMILES |
C=CC(C=CC)CCCC
|
| InChIKey |
YTDCKLAZYJNALS-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178207
Similarity: 0.8529
Similarity to MM178207
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157090
Similarity: 0.7941
Similarity to MM157090
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279115
Similarity: 0.75
Similarity to MM279115
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8571 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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