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DocumentationIdentifier: MM417285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417285 |
| SMILES |
C#CC=C(F)CNCC=O
|
| InChIKey |
XZPLSVOUEMYIIC-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283665
Similarity: 0.7407
Similarity to MM283665
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8511 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283688
Similarity: 0.6991
Similarity to MM283688
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417184
Similarity: 0.6696
Similarity to MM417184
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8024 |
| Dice metric | 0.8021 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
