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DocumentationIdentifier: MM226310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226310 |
| SMILES |
C=CC(C)(C)CC(C)CF
|
| InChIKey |
XWVMOBDIUSMURF-UHFFFAOYSA-N
|
| MW [Da] |
144.23
Automatically obtained from RDkit software. |
| LogP |
3.19
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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MM138329
Similarity: 0.8
Similarity to MM138329
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141617
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Similarity to MM141617
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM327672
Similarity: 0.7108
Similarity to MM327672
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.831 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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