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DocumentationIdentifier: MM149832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149832 |
| SMILES |
C=CN(C=N)CC(C)N
|
| InChIKey |
IRDMVUHJLFVYQS-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.39
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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MM272717
Similarity: 0.7982
Similarity to MM272717
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8896 |
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| MW: | 142.21 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.68 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8782 |
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| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.68 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+232 more
