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DocumentationIdentifier: MM250709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250709 |
| SMILES |
CN(CCO)CCC(N)=O
|
| InChIKey |
PQZNSKMCPVYVJY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.21
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: 0.7582
Similarity to MM144401
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340790
Similarity: 0.7263
Similarity to MM340790
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8415 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245267
Similarity: 0.6563
Similarity to MM245267
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.8005 |
| Dice metric | 0.7925 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
