Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM174413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174413 |
| SMILES |
C=C(C=CC)C(O)C#N
|
| InChIKey |
CTQRSMQVKJBRRU-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86164
Similarity: 0.8678
Similarity to MM86164
| Tanimoto metric | 0.8678 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9292 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356884
Similarity: 0.8537
Similarity to MM356884
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86210
Similarity: 0.8077
Similarity to MM86210
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
