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DocumentationIdentifier: MM245207
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245207 |
| SMILES |
CCC(O)CC(F)C(C)=O
|
| InChIKey |
URGUJCOEJSJBMN-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268663
Similarity: 0.7361
Similarity to MM268663
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.848 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245208
Similarity: 0.7133
Similarity to MM245208
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8327 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245403
Similarity: 0.6358
Similarity to MM245403
| Tanimoto metric | 0.6358 |
|---|---|
| Cosine metric | 0.7783 |
| Dice metric | 0.7774 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
