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DocumentationIdentifier: MM114592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114592 |
| SMILES |
O=CC#CC(=O)CF
|
| InChIKey |
ZPDRGLALNCAGDA-UHFFFAOYSA-N
|
| MW [Da] |
114.08
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26743
Similarity: 0.8214
Similarity to MM26743
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 100.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15573
Similarity: 0.8116
Similarity to MM15573
| Tanimoto metric | 0.8116 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.896 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114574
Similarity: 0.75
Similarity to MM114574
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8571 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
