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DocumentationIdentifier: MM41561
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41561 |
| SMILES |
CC(O)(C#N)C(F)C=O
|
| InChIKey |
QUZOLGUTQVAZRS-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103284
Similarity: 0.6797
Similarity to MM103284
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8093 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35442
Similarity: 0.6641
Similarity to MM35442
| Tanimoto metric | 0.6641 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.7981 |
| MW: | 117.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102575
Similarity: 0.6016
Similarity to MM102575
| Tanimoto metric | 0.6016 |
|---|---|
| Cosine metric | 0.7756 |
| Dice metric | 0.7512 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
