Identifier: MM26298
2D Structure
3D Structure
Source:
General | |
Identifier | MM26298 |
SMILES |
C#CCC(C)C#N
|
InChIKey |
OYORYGQDIOWCFF-UHFFFAOYSA-N
|
MW [Da] |
93.13
Automatically obtained from RDkit software. |
LogP |
1.17
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
2-prop-2-ynylpropanedinitrile
Similarity: 0.8182
Similarity to 2-prop-2-ynylpropanedinitrile
Tanimoto metric | 0.8182 |
---|---|
Cosine metric | 0.9045 |
Dice metric | 0.9 |
MW: | 104.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.67 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM103103
Similarity: 0.75
Similarity to MM103103
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 107.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.56 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM116114
Similarity: 0.75
Similarity to MM116114
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 107.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.56 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+376 more