Identifier: MM339886
2D Structure
3D Structure
Source:
General | |
Identifier | MM339886 |
SMILES |
CCC(C#N)CCC(C)C
|
InChIKey |
NHCLSWLZJXPPNK-UHFFFAOYSA-N
|
MW [Da] |
139.24
Automatically obtained from RDkit software. |
LogP |
2.97
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM315440
Similarity: 0.8966
Similarity to MM315440
Tanimoto metric | 0.8966 |
---|---|
Cosine metric | 0.9456 |
Dice metric | 0.9455 |
MW: | 139.24 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.97 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM198784
Similarity: 0.8929
Similarity to MM198784
Tanimoto metric | 0.8929 |
---|---|
Cosine metric | 0.9449 |
Dice metric | 0.9434 |
MW: | 125.22 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.73 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM402782
Similarity: 0.8667
Similarity to MM402782
Tanimoto metric | 0.8667 |
---|---|
Cosine metric | 0.9286 |
Dice metric | 0.9286 |
MW: | 139.24 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 3.12 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+400 more