Identifier: MM80964
2D Structure
3D Structure
Source:
General | |
Identifier | MM80964 |
SMILES |
C=CC(=N)NC(C)C#N
|
InChIKey |
ZYGYISRRYYJCQL-UHFFFAOYSA-N
|
MW [Da] |
123.16
Automatically obtained from RDkit software. |
LogP |
0.65
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM67128
Similarity: 0.8273
Similarity to MM67128
Tanimoto metric | 0.8273 |
---|---|
Cosine metric | 0.9095 |
Dice metric | 0.9055 |
MW: | 138.17 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.06 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM330498
Similarity: 0.7583
Similarity to MM330498
Tanimoto metric | 0.7583 |
---|---|
Cosine metric | 0.8708 |
Dice metric | 0.8626 |
MW: | 135.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.82 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM104362
Similarity: 0.7143
Similarity to MM104362
Tanimoto metric | 0.7143 |
---|---|
Cosine metric | 0.8452 |
Dice metric | 0.8333 |
MW: | 111.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.49 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+430 more