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DocumentationIdentifier: MM61402
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61402 |
| SMILES |
CCC(F)(CC#N)CC#N
|
| InChIKey |
DMIQAXHQJDHPGB-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40389
Similarity: 0.9104
Similarity to MM40389
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103000
Similarity: 0.8209
Similarity to MM103000
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61422
Similarity: 0.6458
Similarity to MM61422
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.794 |
| Dice metric | 0.7848 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
