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DocumentationIdentifier: MM250635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250635 |
| SMILES |
C=C(C)CCC(C)NCC
|
| InChIKey |
GTUVLOSYEVOETN-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.34
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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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340421
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| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8398 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316429
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Similarity to MM316429
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8333 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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