Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM55805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55805 |
| SMILES |
N#CC(C#N)=COC=O
|
| InChIKey |
CWXWYBXUVLVIJF-UHFFFAOYSA-N
|
| MW [Da] |
122.08
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114810
Similarity: 0.8824
Similarity to MM114810
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347442
Similarity: 0.7234
Similarity to MM347442
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201773
Similarity: 0.6522
Similarity to MM201773
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7895 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
