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DocumentationIdentifier: MM355817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355817 |
| SMILES |
C=C(CCNC)CNC=O
|
| InChIKey |
AZTNOTPBNLJVTD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.1
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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MM156230
Similarity: 0.9259
Similarity to MM156230
| Tanimoto metric | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306514
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Similarity to MM306514
| Tanimoto metric | 0.7531 |
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| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM87410
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Similarity to MM87410
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+556 more
