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DocumentationIdentifier: MM15887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15887 |
| SMILES |
C#CC(F)(CC=O)COC
|
| InChIKey |
FNSLPXVSDCFZIL-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139490
Similarity: 0.7619
Similarity to MM139490
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-fluoro-4-methoxy-3-methylbutanal
Similarity: 0.6463
Similarity to 3-fluoro-4-methoxy-3-methylbutanal
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.7851 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82806
Similarity: 0.5956
Similarity to MM82806
| Tanimoto metric | 0.5956 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.7466 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
