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DocumentationIdentifier: MM235550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235550 |
| SMILES |
CC(C)C(C)(F)C#CC#N
|
| InChIKey |
BZYJHDHLKLCXGC-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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MM139033
Similarity: 0.7909
Similarity to MM139033
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132853
Similarity: 0.7727
Similarity to MM132853
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM235523
Similarity: 0.6967
Similarity to MM235523
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8213 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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