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DocumentationIdentifier: MM414637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414637 |
| SMILES |
CC=C(CF)C(C)CC=O
|
| InChIKey |
ORXGDVGRBSGWEO-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172501
Similarity: 0.7177
Similarity to MM172501
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8357 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174802
Similarity: 0.6774
Similarity to MM174802
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296029
Similarity: 0.6643
Similarity to MM296029
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7999 |
| Dice metric | 0.7983 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
