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DocumentationIdentifier: MM320269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320269 |
| SMILES |
CCC(C)CN=C(C)NC
|
| InChIKey |
OEPKQQXQNNORJW-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.67
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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MM167789
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| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371382
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| Tanimoto metric | 0.6852 |
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| Cosine metric | 0.8156 |
| Dice metric | 0.8132 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
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| AI: | 0
Total active interactions
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MM250751
Similarity: 0.6466
Similarity to MM250751
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7853 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
