Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM409620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409620 |
| SMILES |
C#CC#CCN(C=C)C=O
|
| InChIKey |
VWGZXFSPOMAANY-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM409408
Similarity: 0.7879
Similarity to MM409408
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8814 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409551
Similarity: 0.75
Similarity to MM409551
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8571 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409401
Similarity: 0.7264
Similarity to MM409401
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8415 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
