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DocumentationIdentifier: MM264592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264592 |
| SMILES |
C#CC(=C)NC(=N)C=CC
|
| InChIKey |
NFYUTGJDIJHSQP-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
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 | 0.8145 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8978 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.66 |
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Total active interactions
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MM334614
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| Tanimoto metric | 0.6859 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8137 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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