Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM253110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253110 |
| SMILES |
NCC=C(F)C#CC(N)=O
|
| InChIKey |
LRUNOOXBULSEAP-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253154
Similarity: 0.7578
Similarity to MM253154
| Tanimoto metric | 0.7578 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8622 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253111
Similarity: 0.7405
Similarity to MM253111
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8509 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253143
Similarity: 0.7293
Similarity to MM253143
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8435 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
