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DocumentationIdentifier: MM91986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91986 |
| SMILES |
CCC(=O)OCC#CC=O
|
| InChIKey |
YYMUWOBTSQBVBQ-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167708
Similarity: 0.8736
Similarity to MM167708
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370830
Similarity: 0.8211
Similarity to MM370830
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9017 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91967
Similarity: 0.8
Similarity to MM91967
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8889 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
