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DocumentationIdentifier: MM169169
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169169 |
| SMILES |
O=CC#CCC(F)C=O
|
| InChIKey |
XTFUHXUSPNKMRT-UHFFFAOYSA-N
|
| MW [Da] |
128.1
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113785
Similarity: 0.8451
Similarity to MM113785
| Tanimoto metric | 0.8451 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.916 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106158
Similarity: 0.7606
Similarity to MM106158
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.864 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169138
Similarity: 0.7595
Similarity to MM169138
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8633 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
