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DocumentationIdentifier: MM138081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138081 |
| SMILES |
CCCCC(C)(N)CF
|
| InChIKey |
WTYXIURQTIOLCA-UHFFFAOYSA-N
|
| MW [Da] |
133.21
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM227739
Similarity: 0.9091
Similarity to MM227739
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239190
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| Tanimoto metric | 0.9091 |
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| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 151.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM91663
Similarity: 0.8989
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| Tanimoto metric | 0.8989 |
|---|---|
| Cosine metric | 0.9481 |
| Dice metric | 0.9467 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+637 more
