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DocumentationIdentifier: MM96391
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96391 |
| SMILES |
CC(=N)NC(C)=CC=NO
|
| InChIKey |
UGAYCJNZOZVLIF-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.94
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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MM86925
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| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238044
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| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.819 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104734
Similarity: 0.6293
Similarity to MM104734
| Tanimoto metric | 0.6293 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7725 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
