Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM411443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411443 |
| SMILES |
C#CC(C#N)C(=C)OC=O
|
| InChIKey |
KFRCNLVOUPKISA-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173442
Similarity: 0.7029
Similarity to MM173442
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173568
Similarity: 0.6884
Similarity to MM173568
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411544
Similarity: 0.6333
Similarity to MM411544
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7818 |
| Dice metric | 0.7755 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
