Identifier: MM116059
2D Structure
3D Structure
Source:
General | |
Identifier | MM116059 |
SMILES |
CCC(C#N)CC=O
|
InChIKey |
MNIRTAKGTHNOMA-UHFFFAOYSA-N
|
MW [Da] |
111.14
Automatically obtained from RDkit software. |
LogP |
1.13
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM26265
Similarity: 0.75
Similarity to MM26265
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 97.12 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.74 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM178037
Similarity: 0.75
Similarity to MM178037
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 122.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.63 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM179732
Similarity: 0.75
Similarity to MM179732
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 125.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.37 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+388 more