Identifier: MM280250
2D Structure
3D Structure
Source:
General | |
Identifier | MM280250 |
SMILES |
C=C(COC)OC=CC#N
|
InChIKey |
ZGQCHWSOKQXVMM-UHFFFAOYSA-N
|
MW [Da] |
139.15
Automatically obtained from RDkit software. |
LogP |
1.2
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM49184
Similarity: 0.8372
Similarity to MM49184
Tanimoto metric | 0.8372 |
---|---|
Cosine metric | 0.915 |
Dice metric | 0.9114 |
MW: | 125.13 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.55 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM156903
Similarity: 0.8023
Similarity to MM156903
Tanimoto metric | 0.8023 |
---|---|
Cosine metric | 0.8957 |
Dice metric | 0.8903 |
MW: | 128.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.7 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM70135
Similarity: 0.7188
Similarity to MM70135
Tanimoto metric | 0.7188 |
---|---|
Cosine metric | 0.8371 |
Dice metric | 0.8364 |
MW: | 144.17 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.67 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+300 more