Identifier: MM170029
2D Structure
3D Structure
Source:
General | |
Identifier | MM170029 |
SMILES |
C#CC(=O)C=COCC
|
InChIKey |
RXHZJKCIXBQSNI-UHFFFAOYSA-N
|
MW [Da] |
124.14
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
MM364619
Similarity: 0.8989
Similarity to MM364619
Tanimoto metric | 0.8989 |
---|---|
Cosine metric | 0.9481 |
Dice metric | 0.9467 |
MW: | 138.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.13 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM93131
Similarity: 0.8889
Similarity to MM93131
Tanimoto metric | 0.8889 |
---|---|
Cosine metric | 0.9428 |
Dice metric | 0.9412 |
MW: | 138.12 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.08 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM364675
Similarity: 0.8889
Similarity to MM364675
Tanimoto metric | 0.8889 |
---|---|
Cosine metric | 0.9428 |
Dice metric | 0.9412 |
MW: | 134.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.35 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+418 more