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DocumentationIdentifier: MM457164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457164 |
| SMILES |
C=CC=CC=COCC=C
|
| InChIKey |
GYVWVKWOZXHCFT-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215196
Similarity: 0.9107
Similarity to MM215196
| Tanimoto metric | 0.9107 |
|---|---|
| Cosine metric | 0.9543 |
| Dice metric | 0.9533 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452486
Similarity: 0.85
Similarity to MM452486
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.919 |
| Dice metric | 0.9189 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457072
Similarity: 0.7969
Similarity to MM457072
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.887 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
