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DocumentationIdentifier: MM327773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327773 |
| SMILES |
C=CN(C=N)CC(C)CC
|
| InChIKey |
NWMCDBVIIMPERO-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.09
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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MM149830
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| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
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|---|---|---|---|---|---|
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Total active interactions
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MM340246
Similarity: 0.708
Similarity to MM340246
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.829 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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