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DocumentationIdentifier: MM376562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376562 |
| SMILES |
C=CC(OC=O)C(F)CN
|
| InChIKey |
VXDZEWGNRFMAHL-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171996
Similarity: 0.7114
Similarity to MM171996
| Tanimoto metric | 0.7114 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8314 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305644
Similarity: 0.6056
Similarity to MM305644
| Tanimoto metric | 0.6056 |
|---|---|
| Cosine metric | 0.7547 |
| Dice metric | 0.7543 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292680
Similarity: 0.5989
Similarity to MM292680
| Tanimoto metric | 0.5989 |
|---|---|
| Cosine metric | 0.7502 |
| Dice metric | 0.7491 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
