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DocumentationIdentifier: MM371382
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371382 |
| SMILES |
CCCCCN=C(C)NC
|
| InChIKey |
AEZGIUHVYSBTCG-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.81
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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MM167789
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| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM410712
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| Tanimoto metric | 0.7308 |
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| Cosine metric | 0.8463 |
| Dice metric | 0.8444 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113836
Similarity: 0.7262
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| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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