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DocumentationIdentifier: MM274715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274715 |
| SMILES |
C=CCC(C#N)=CC(=C)F
|
| InChIKey |
CEHVIEMROPVCRB-UHFFFAOYSA-N
|
| MW [Da] |
137.16
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM151041
Similarity: 0.8291
Similarity to MM151041
| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274716
Similarity: 0.7101
Similarity to MM274716
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8305 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273839
Similarity: 0.695
Similarity to MM273839
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8201 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
