Identifier: MM116438
2D Structure
3D Structure
Source:
General | |
Identifier | MM116438 |
SMILES |
C=CCC(=CC)CC
|
InChIKey |
BOCMEYDNTRRDGN-UHFFFAOYSA-N
|
MW [Da] |
110.2
Automatically obtained from RDkit software. |
LogP |
2.92
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM179000
Similarity: 0.8214
Similarity to MM179000
Tanimoto metric | 0.8214 |
---|---|
Cosine metric | 0.9063 |
Dice metric | 0.902 |
MW: | 122.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 3.08 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM178932
Similarity: 0.7931
Similarity to MM178932
Tanimoto metric | 0.7931 |
---|---|
Cosine metric | 0.8906 |
Dice metric | 0.8846 |
MW: | 124.23 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 3.31 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM200271
Similarity: 0.7931
Similarity to MM200271
Tanimoto metric | 0.7931 |
---|---|
Cosine metric | 0.8906 |
Dice metric | 0.8846 |
MW: | 124.23 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 3.31 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+863 more