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DocumentationIdentifier: MM139813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139813 |
| SMILES |
CCC(C)(CC)C(C)N
|
| InChIKey |
LMZFBSULHRFSTF-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.16
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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MM103241
Similarity: 0.8333
Similarity to MM103241
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM81186
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| Tanimoto metric | 0.7692 |
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| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.1 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM78966
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Similarity to MM78966
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
