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DocumentationIdentifier: MM144401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144401 |
| SMILES |
CCN(C)CCC(N)=O
|
| InChIKey |
QXJMQZCWUIAYGK-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM340790
Similarity: 0.9452
Similarity to MM340790
| Tanimoto metric | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316969
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| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM250709
Similarity: 0.7582
Similarity to MM250709
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
