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DocumentationIdentifier: MM106625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106625 |
| SMILES |
COC=CC=C(C)F
|
| InChIKey |
ANKALRAVXXRNDU-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155034
Similarity: 0.8116
Similarity to MM155034
| Tanimoto metric | 0.8116 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.896 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155055
Similarity: 0.7887
Similarity to MM155055
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171533
Similarity: 0.7887
Similarity to MM171533
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+542 more
