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DocumentationIdentifier: MM372013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372013 |
| SMILES |
CC=CC#CC=C(F)C#N
|
| InChIKey |
WMOMFPIZRXSCED-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171692
Similarity: 0.9474
Similarity to MM171692
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290663
Similarity: 0.8684
Similarity to MM290663
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114921
Similarity: 0.8289
Similarity to MM114921
| Tanimoto metric | 0.8289 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
