Identifier: MM104641
2D Structure
3D Structure
Source:
General | |
Identifier | MM104641 |
SMILES |
C=CC(=O)CC(C)=O
|
InChIKey |
MSLCOWHBLCTBOW-UHFFFAOYSA-N
|
MW [Da] |
112.13
Automatically obtained from RDkit software. |
LogP |
0.72
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
Hepta-1,6-diene-3,5-dione
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Similarity to Hepta-1,6-diene-3,5-dione
Tanimoto metric | 0.9298 |
---|---|
Cosine metric | 0.9643 |
Dice metric | 0.9636 |
MW: | 124.14 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.89 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM36515
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Similarity to MM36515
Tanimoto metric | 0.7719 |
---|---|
Cosine metric | 0.8724 |
Dice metric | 0.8713 |
MW: | 110.16 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 1.71 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM142689
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Similarity to MM142689
Tanimoto metric | 0.7571 |
---|---|
Cosine metric | 0.8701 |
Dice metric | 0.8618 |
MW: | 126.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.11 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+163 more