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DocumentationIdentifier: MM144399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144399 |
| SMILES |
C=C(C)CCN(C)CC
|
| InChIKey |
RFPQAXHXBPJOLY-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.9
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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MM250705
Similarity: 0.9452
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| Tanimoto metric | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340786
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| Tanimoto metric | 0.9452 |
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| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM250821
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Similarity to MM250821
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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