Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM52068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52068 |
| SMILES |
C#CC(=CC#N)OC=O
|
| InChIKey |
MFCHJIJNFZRDES-UHFFFAOYSA-N
|
| MW [Da] |
121.1
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
MM116598
Similarity: 0.7449
Similarity to MM116598
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273936
Similarity: 0.7101
Similarity to MM273936
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385491
Similarity: 0.695
Similarity to MM385491
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
