Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM94037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94037 |
| SMILES |
N#CCC(CO)C(F)C#N
|
| InChIKey |
FRCQLZQMOBGUAO-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375902
Similarity: 0.6549
Similarity to MM375902
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7915 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375898
Similarity: 0.6408
Similarity to MM375898
| Tanimoto metric | 0.6408 |
|---|---|
| Cosine metric | 0.7817 |
| Dice metric | 0.7811 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35366
Similarity: 0.625
Similarity to MM35366
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
