Identifier: MM146476
2D Structure
3D Structure
Source:
General | |
Identifier | MM146476 |
SMILES |
C=CC(=O)OC=C(C)C
|
InChIKey |
SBKXYVIBTSYOEN-UHFFFAOYSA-N
|
MW [Da] |
126.16
Automatically obtained from RDkit software. |
LogP |
1.64
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM113741
Similarity: 0.7922
Similarity to MM113741
Tanimoto metric | 0.7922 |
---|---|
Cosine metric | 0.8901 |
Dice metric | 0.8841 |
MW: | 112.13 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.25 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM325713
Similarity: 0.7778
Similarity to MM325713
Tanimoto metric | 0.7778 |
---|---|
Cosine metric | 0.8819 |
Dice metric | 0.875 |
MW: | 138.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.81 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM325715
Similarity: 0.7624
Similarity to MM325715
Tanimoto metric | 0.7624 |
---|---|
Cosine metric | 0.8731 |
Dice metric | 0.8652 |
MW: | 140.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.82 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+364 more