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DocumentationIdentifier: MM258051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258051 |
| SMILES |
C#CC(O)CCNC(C)=N
|
| InChIKey |
FVQZVBZEXOAIFC-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
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 | 0.6583 |
|---|---|
| Cosine metric | 0.7948 |
| Dice metric | 0.794 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6538 |
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| Cosine metric | 0.8086 |
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| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.99 |
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Total active interactions
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MM279526
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| Tanimoto metric | 0.6446 |
|---|---|
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| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+327 more
