Identifier: MM137881
2D Structure
3D Structure
Source:
General | |
Identifier | MM137881 |
SMILES |
C=C(CC)C(C)(C)C#N
|
InChIKey |
HFACJRFQQYQUDV-UHFFFAOYSA-N
|
MW [Da] |
123.2
Automatically obtained from RDkit software. |
LogP |
2.5
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM307297
Similarity: 0.8351
Similarity to MM307297
Tanimoto metric | 0.8351 |
---|---|
Cosine metric | 0.9138 |
Dice metric | 0.9101 |
MW: | 134.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.01 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM223906
Similarity: 0.7553
Similarity to MM223906
Tanimoto metric | 0.7553 |
---|---|
Cosine metric | 0.8607 |
Dice metric | 0.8606 |
MW: | 137.23 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.75 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM242359
Similarity: 0.7431
Similarity to MM242359
Tanimoto metric | 0.7431 |
---|---|
Cosine metric | 0.862 |
Dice metric | 0.8526 |
MW: | 137.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.68 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+418 more