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DocumentationIdentifier: MM284444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284444 |
| SMILES |
CCC=C(F)C#CCC#N
|
| InChIKey |
ZIRAZPNFQQKOJU-UHFFFAOYSA-N
|
| MW [Da] |
137.16
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170918
Similarity: 0.8511
Similarity to MM170918
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159317
Similarity: 0.8085
Similarity to MM159317
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284445
Similarity: 0.7523
Similarity to MM284445
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8586 |
| MW: | 141.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
