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DocumentationIdentifier: MM378015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378015 |
| SMILES |
N=CN(C=CC=O)CCO
|
| InChIKey |
XXYPDVXUITWYOT-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377921
Similarity: 0.7083
Similarity to MM377921
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8293 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81871
Similarity: 0.6866
Similarity to MM81871
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8142 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80648
Similarity: 0.672
Similarity to MM80648
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8038 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
