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DocumentationIdentifier: MM109098
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109098 |
| SMILES |
CC(C(=N)N)N(C)C
|
| InChIKey |
FYVYGSVWZLJUET-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-0.13
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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MM98495
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| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8146 |
| Dice metric | 0.7978 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.62 |
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Total active interactions
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| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.7978 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
