Identifier: MM311736
2D Structure
3D Structure
Source:
General | |
Identifier | MM311736 |
SMILES |
CCC(O)(C#CC=O)CC
|
InChIKey |
SYYPOTGDDBGRJS-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
4-hydroxy-4-methylhex-2-ynal
Similarity: 0.8627
Similarity to 4-hydroxy-4-methylhex-2-ynal
Tanimoto metric | 0.8627 |
---|---|
Cosine metric | 0.9288 |
Dice metric | 0.9263 |
MW: | 126.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.35 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM59195
Similarity: 0.7236
Similarity to MM59195
Tanimoto metric | 0.7236 |
---|---|
Cosine metric | 0.8402 |
Dice metric | 0.8396 |
MW: | 140.14 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.47 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM234447
Similarity: 0.704
Similarity to MM234447
Tanimoto metric | 0.704 |
---|---|
Cosine metric | 0.827 |
Dice metric | 0.8263 |
MW: | 136.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.04 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+411 more