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DocumentationIdentifier: MM372537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372537 |
| SMILES |
C=CNC=NCC(C)CC
|
| InChIKey |
ZPKMGGKVGSWVLL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153593
Similarity: 0.7733
Similarity to MM153593
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239996
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| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8322 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM451376
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Similarity to MM451376
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8321 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
