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DocumentationIdentifier: MM170657
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170657 |
| SMILES |
O=CCC#CC(=O)CF
|
| InChIKey |
DWJWFYIBRSSIOE-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
MM114574
Similarity: 0.8235
Similarity to MM114574
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294263
Similarity: 0.7816
Similarity to MM294263
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170615
Similarity: 0.7436
Similarity to MM170615
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8529 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
