Identifier: MM371888
2D Structure
3D Structure
Source:
General | |
Identifier | MM371888 |
SMILES |
COCC#CC=C(F)C#N
|
InChIKey |
IMRVTNIPVUYSBN-UHFFFAOYSA-N
|
MW [Da] |
139.13
Automatically obtained from RDkit software. |
LogP |
1.01
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM171679
Similarity: 0.8617
Similarity to MM171679
Tanimoto metric | 0.8617 |
---|---|
Cosine metric | 0.9283 |
Dice metric | 0.9257 |
MW: | 125.1 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.36 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM155104
Similarity: 0.7447
Similarity to MM155104
Tanimoto metric | 0.7447 |
---|---|
Cosine metric | 0.8629 |
Dice metric | 0.8537 |
MW: | 128.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.51 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM114921
Similarity: 0.6702
Similarity to MM114921
Tanimoto metric | 0.6702 |
---|---|
Cosine metric | 0.8187 |
Dice metric | 0.8025 |
MW: | 109.1 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.39 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+425 more