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DocumentationIdentifier: MM172651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172651 |
| SMILES |
C#CCC(F)C(=O)CC
|
| InChIKey |
PWPNLFHITLHHLH-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.33
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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MM108318
Similarity: 0.7692
Similarity to MM108318
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM293749
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| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162573
Similarity: 0.6893
Similarity to MM162573
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.817 |
| Dice metric | 0.8161 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
