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DocumentationIdentifier: MM332037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM332037 |
| SMILES |
C=CC(C)OC(=CF)CO
|
| InChIKey |
SCTTZIWAJXIBCR-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150262
Similarity: 0.7478
Similarity to MM150262
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264140
Similarity: 0.7099
Similarity to MM264140
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8304 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142287
Similarity: 0.7043
Similarity to MM142287
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8265 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
