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DocumentationIdentifier: MM178773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178773 |
| SMILES |
CC=CC(C=CC)=CC
|
| InChIKey |
RWNAEUITRTZZBI-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
3.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116648
Similarity: 0.9167
Similarity to MM116648
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179441
Similarity: 0.8214
Similarity to MM179441
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.902 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379354
Similarity: 0.8
Similarity to MM379354
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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