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DocumentationIdentifier: MM180148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180148 |
| SMILES |
CC=CC(CC)C(=N)N
|
| InChIKey |
GWNSDYPARODCCM-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.52
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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MM395505
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| Tanimoto metric | 0.8403 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9132 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275829
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305756
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Similarity to MM305756
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
