Identifier: MM171678
2D Structure
3D Structure
Source:
General | |
Identifier | MM171678 |
SMILES |
CCC#CC=C(F)C#N
|
InChIKey |
HVGZLQFNAKFWDM-UHFFFAOYSA-N
|
MW [Da] |
123.13
Automatically obtained from RDkit software. |
LogP |
1.78
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM371930
Similarity: 0.8876
Similarity to MM371930
Tanimoto metric | 0.8876 |
---|---|
Cosine metric | 0.9421 |
Dice metric | 0.9405 |
MW: | 133.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.39 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM371915
Similarity: 0.8876
Similarity to MM371915
Tanimoto metric | 0.8876 |
---|---|
Cosine metric | 0.9421 |
Dice metric | 0.9405 |
MW: | 135.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.94 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM371870
Similarity: 0.8681
Similarity to MM371870
Tanimoto metric | 0.8681 |
---|---|
Cosine metric | 0.9317 |
Dice metric | 0.9294 |
MW: | 137.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.17 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+395 more