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DocumentationIdentifier: MM199197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199197 |
| SMILES |
C=CN(C=N)CCCN
|
| InChIKey |
JRBNQACKUHAGRU-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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| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7957 |
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| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.44 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM341487
Similarity: 0.7115
Similarity to MM341487
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+227 more
