Identifier: MM236996
2D Structure
3D Structure
Source:
General | |
Identifier | MM236996 |
SMILES |
C=CCOC(=O)CC(C)=O
|
InChIKey |
AXLMPTNTPOWPLT-UHFFFAOYSA-N
|
MW [Da] |
142.15
Automatically obtained from RDkit software. |
LogP |
0.69
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
Ethyl 3-oxobutanoate
Similarity: 0.8073
Similarity to Ethyl 3-oxobutanoate
Tanimoto metric | 0.8073 |
---|---|
Cosine metric | 0.8985 |
Dice metric | 0.8934 |
MW: | 130.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.53 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
Prop-2-enyl 3-oxopropanoate
Similarity: 0.7064
Similarity to Prop-2-enyl 3-oxopropanoate
Tanimoto metric | 0.7064 |
---|---|
Cosine metric | 0.8405 |
Dice metric | 0.828 |
MW: | 128.13 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.3 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM223256
Similarity: 0.6929
Similarity to MM223256
Tanimoto metric | 0.6929 |
---|---|
Cosine metric | 0.8187 |
Dice metric | 0.8186 |
MW: | 144.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.92 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+187 more