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DocumentationIdentifier: MM340790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340790 |
| SMILES |
CCN(CC)CCC(N)=O
|
| InChIKey |
KTUOJDXAHZOFCA-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144401
Similarity: 0.9452
Similarity to MM144401
| Tanimoto metric | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316969
Similarity: 0.7841
Similarity to MM316969
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.879 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250709
Similarity: 0.7263
Similarity to MM250709
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8415 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
