Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM46176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46176 |
| SMILES |
C#CCOC(=O)CC#C
|
| InChIKey |
ABUIAAPXSPVSBT-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM279032
Similarity: 0.8444
Similarity to MM279032
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107441
Similarity: 0.8421
Similarity to MM107441
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113296
Similarity: 0.8158
Similarity to MM113296
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
