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DocumentationIdentifier: MM299578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299578 |
| SMILES |
C=C(C(C)N)C(O)C=CF
|
| InChIKey |
NDEXBMIGSYBWOJ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160861
Similarity: 0.7597
Similarity to MM160861
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8635 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351132
Similarity: 0.6486
Similarity to MM351132
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7869 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351134
Similarity: 0.6094
Similarity to MM351134
| Tanimoto metric | 0.6094 |
|---|---|
| Cosine metric | 0.7573 |
| Dice metric | 0.7573 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
