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DocumentationIdentifier: MM166596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166596 |
| SMILES |
O=CNCCC(=O)CF
|
| InChIKey |
VIUBCSDWXUDOMQ-UHFFFAOYSA-N
|
| MW [Da] |
133.12
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113002
Similarity: 0.8052
Similarity to MM113002
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299120
Similarity: 0.77
Similarity to MM299120
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8701 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364499
Similarity: 0.7033
Similarity to MM364499
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8258 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
