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DocumentationIdentifier: MM93774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93774 |
| SMILES |
N#CCCOC=C(F)C=O
|
| InChIKey |
IQAZTFZONRIFLL-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171173
Similarity: 0.8384
Similarity to MM171173
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9121 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370216
Similarity: 0.7615
Similarity to MM370216
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8646 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154880
Similarity: 0.7576
Similarity to MM154880
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
