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DocumentationIdentifier: MM44308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44308 |
| SMILES |
C#CC(CF)NCCC#N
|
| InChIKey |
IWBSOECXKJPRAX-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44899
Similarity: 0.6408
Similarity to MM44899
| Tanimoto metric | 0.6408 |
|---|---|
| Cosine metric | 0.7898 |
| Dice metric | 0.7811 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43641
Similarity: 0.619
Similarity to MM43641
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7724 |
| Dice metric | 0.7647 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44085
Similarity: 0.6048
Similarity to MM44085
| Tanimoto metric | 0.6048 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.7538 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
