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DocumentationIdentifier: MM113523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113523 |
| SMILES |
C=CC(C)CC=CF
|
| InChIKey |
KASNTLTUAWCHLG-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107538
Similarity: 0.8913
Similarity to MM107538
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9426 |
| Dice metric | 0.9425 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199606
Similarity: 0.8431
Similarity to MM199606
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138618
Similarity: 0.7544
Similarity to MM138618
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
