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DocumentationIdentifier: MM73024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73024 |
| SMILES |
C#CC(C#N)=C(F)C(N)=O
|
| InChIKey |
VFADDRMSCMIJSN-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47805
Similarity: 0.7069
Similarity to MM47805
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47816
Similarity: 0.6954
Similarity to MM47816
| Tanimoto metric | 0.6954 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73026
Similarity: 0.6471
Similarity to MM73026
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7857 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
