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DocumentationIdentifier: MM48431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48431 |
| SMILES |
C#CC(=O)CNCC(=C)F
|
| InChIKey |
JDWGWXPCNONHPW-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.26
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: 0.7615
Similarity to MM35510
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374464
Similarity: 0.6336
Similarity to MM374464
| Tanimoto metric | 0.6336 |
|---|---|
| Cosine metric | 0.7758 |
| Dice metric | 0.7757 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461248
Similarity: 0.6288
Similarity to MM461248
| Tanimoto metric | 0.6288 |
|---|---|
| Cosine metric | 0.7722 |
| Dice metric | 0.7721 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
