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DocumentationIdentifier: MM138139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138139 |
| SMILES |
CCNCC(C)(C)CC
|
| InChIKey |
SBRBPFHRQPLPLX-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239263
Similarity: 0.9355
Similarity to MM239263
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227781
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| Tanimoto metric | 0.8406 |
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| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM307799
Similarity: 0.8286
Similarity to MM307799
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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