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DocumentationIdentifier: MM85907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85907 |
| SMILES |
CC(CCCCN)C(N)=O
|
| InChIKey |
CTHOPHSWTMBPAH-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.24
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 | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9167 |
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| Cosine metric | 0.9565 |
| Dice metric | 0.9565 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
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|---|---|---|---|---|---|
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Total active interactions
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MM257723
Similarity: 0.8193
Similarity to MM257723
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9007 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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