Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM305256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305256 |
| SMILES |
CCC#CCC(O)C(C)=O
|
| InChIKey |
BWWGXMIAAHTPST-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163079
Similarity: 0.9175
Similarity to MM163079
| Tanimoto metric | 0.9175 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.957 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305258
Similarity: 0.8679
Similarity to MM305258
| Tanimoto metric | 0.8679 |
|---|---|
| Cosine metric | 0.9295 |
| Dice metric | 0.9293 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73739
Similarity: 0.8349
Similarity to MM73739
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.91 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
