Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM40744
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40744 |
| SMILES |
C#CC(N)C(O)CC(=C)C
|
| InChIKey |
QMNRWCGRHUEMOO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172283
Similarity: 0.7153
Similarity to MM172283
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74527
Similarity: 0.7083
Similarity to MM74527
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352917
Similarity: 0.6242
Similarity to MM352917
| Tanimoto metric | 0.6242 |
|---|---|
| Cosine metric | 0.7708 |
| Dice metric | 0.7687 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
