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DocumentationIdentifier: MM452486
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452486 |
| SMILES |
CC=CC=COCC=CC
|
| InChIKey |
OFVAHDALWYSDOB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
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: 0.9273
Similarity to MM215196
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.963 |
| Dice metric | 0.9623 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214092
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| Tanimoto metric | 0.8909 |
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| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM457072
Similarity: 0.8689
Similarity to MM457072
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.9298 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+661 more
