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DocumentationIdentifier: MM135635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135635 |
| SMILES |
C=CCC(=N)NC(=C)C
|
| InChIKey |
FVSPTHZPFRRYJP-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.66
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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MM263391
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| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.878 |
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| MW: | 112.18 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.5 |
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Total active interactions
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MM263833
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| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
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| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
