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DocumentationIdentifier: MM316162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316162 |
| SMILES |
C#CC(C)CCC(F)C#N
|
| InChIKey |
VGQTYPIVAAEIAG-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM166196
Similarity: 0.7556
Similarity to MM166196
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261720
Similarity: 0.7248
Similarity to MM261720
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8404 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144126
Similarity: 0.7111
Similarity to MM144126
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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