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DocumentationIdentifier: MM177915
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177915 |
| SMILES |
C#CCC(CF)NC=N
|
| InChIKey |
KEBPCMCXAQJMGL-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243103
Similarity: 0.7008
Similarity to MM243103
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88890
Similarity: 0.6953
Similarity to MM88890
| Tanimoto metric | 0.6953 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177823
Similarity: 0.5981
Similarity to MM177823
| Tanimoto metric | 0.5981 |
|---|---|
| Cosine metric | 0.7492 |
| Dice metric | 0.7485 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
