Identifier: MM234447
2D Structure
3D Structure
Source:
General | |
Identifier | MM234447 |
SMILES |
C#CCC(C)(O)C#CC=O
|
InChIKey |
QMGGNYNXVLDKNO-UHFFFAOYSA-N
|
MW [Da] |
136.15
Automatically obtained from RDkit software. |
LogP |
-0.04
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
4-hydroxy-4-methylhex-2-ynal
Similarity: 0.7928
Similarity to 4-hydroxy-4-methylhex-2-ynal
Tanimoto metric | 0.7928 |
---|---|
Cosine metric | 0.8904 |
Dice metric | 0.8844 |
MW: | 126.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.35 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM132520
Similarity: 0.7658
Similarity to MM132520
Tanimoto metric | 0.7658 |
---|---|
Cosine metric | 0.8751 |
Dice metric | 0.8673 |
MW: | 122.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.78 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM311736
Similarity: 0.704
Similarity to MM311736
Tanimoto metric | 0.704 |
---|---|
Cosine metric | 0.827 |
Dice metric | 0.8263 |
MW: | 140.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.74 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+181 more