Identifier: MM165935
2D Structure
3D Structure
Source:
General | |
Identifier | MM165935 |
SMILES |
COCCCC(C)C=O
|
InChIKey |
CEPVNYWRGDLGEX-UHFFFAOYSA-N
|
MW [Da] |
130.19
Automatically obtained from RDkit software. |
LogP |
1.25
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM363572
Similarity: 0.8955
Similarity to MM363572
Tanimoto metric | 0.8955 |
---|---|
Cosine metric | 0.9463 |
Dice metric | 0.9449 |
MW: | 144.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.64 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM363862
Similarity: 0.8333
Similarity to MM363862
Tanimoto metric | 0.8333 |
---|---|
Cosine metric | 0.9129 |
Dice metric | 0.9091 |
MW: | 144.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.77 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM402834
Similarity: 0.7895
Similarity to MM402834
Tanimoto metric | 0.7895 |
---|---|
Cosine metric | 0.8885 |
Dice metric | 0.8824 |
MW: | 144.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.64 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+735 more