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DocumentationIdentifier: MM306659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306659 |
| SMILES |
CCNC(C(C)C)C(C)C
|
| InChIKey |
JECFXXKFMGDDJN-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.28
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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MM179613
Similarity: 0.9394
Similarity to MM179613
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7879 |
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| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM392274
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Similarity to MM392274
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8732 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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