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DocumentationIdentifier: MM156929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156929 |
| SMILES |
C=CNC(=O)CC=CC
|
| InChIKey |
RAALDBPNIGNJMG-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.21
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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MM280424
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| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM60838
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| Tanimoto metric | 0.8817 |
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| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357072
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| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
