Identifier: MM136124
2D Structure
3D Structure
Source:
General | |
Identifier | MM136124 |
SMILES |
C=CC=C(C)OC(C)=O
|
InChIKey |
OCGBXMGDMUAWJE-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
MM266171
Similarity: 0.7881
Similarity to MM266171
Tanimoto metric | 0.7881 |
---|---|
Cosine metric | 0.8878 |
Dice metric | 0.8815 |
MW: | 138.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.81 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM104747
Similarity: 0.7742
Similarity to MM104747
Tanimoto metric | 0.7742 |
---|---|
Cosine metric | 0.8799 |
Dice metric | 0.8727 |
MW: | 114.14 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.47 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM266031
Similarity: 0.7623
Similarity to MM266031
Tanimoto metric | 0.7623 |
---|---|
Cosine metric | 0.8731 |
Dice metric | 0.8651 |
MW: | 140.18 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.03 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+248 more