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DocumentationIdentifier: MM461248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM461248 |
| SMILES |
C=C(F)CNCC(=O)CO
|
| InChIKey |
MKDKWJYIKMEYBO-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35510
Similarity: 0.783
Similarity to MM35510
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8783 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374464
Similarity: 0.6614
Similarity to MM374464
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7962 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48431
Similarity: 0.6288
Similarity to MM48431
| Tanimoto metric | 0.6288 |
|---|---|
| Cosine metric | 0.7722 |
| Dice metric | 0.7721 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
