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DocumentationIdentifier: MM153221
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153221 |
| SMILES |
NCC=CCCC(N)=O
|
| InChIKey |
UVRBXHLBFOTOEZ-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.23
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 | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9199 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.83 |
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Total active interactions
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| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.16 |
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+250 more
