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DocumentationIdentifier: MM333300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333300 |
| SMILES |
CC=C(CN)NC(=N)CN
|
| InChIKey |
FTSZWFIDEDTPGT-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-0.63
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 | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8172 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.6 |
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| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.811 |
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| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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