Identifier: MM372737
2D Structure
3D Structure
Source:
General | |
Identifier | MM372737 |
SMILES |
CCCN=CNC(C)C#N
|
InChIKey |
ZHKKUHGTCNJFKL-UHFFFAOYSA-N
|
MW [Da] |
139.2
Automatically obtained from RDkit software. |
LogP |
0.93
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM168282
Similarity: 0.88
Similarity to MM168282
Tanimoto metric | 0.88 |
---|---|
Cosine metric | 0.9381 |
Dice metric | 0.9362 |
MW: | 125.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.54 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM34839
Similarity: 0.7952
Similarity to MM34839
Tanimoto metric | 0.7952 |
---|---|
Cosine metric | 0.8859 |
Dice metric | 0.8859 |
MW: | 136.16 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.04 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM57342
Similarity: 0.76
Similarity to MM57342
Tanimoto metric | 0.76 |
---|---|
Cosine metric | 0.8718 |
Dice metric | 0.8636 |
MW: | 125.18 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.54 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+305 more