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DocumentationIdentifier: MM113155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113155 |
| SMILES |
C=C(CO)CNC=N
|
| InChIKey |
QPWPQQOQECJSSX-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199904
Similarity: 0.7273
Similarity to MM199904
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144851
Similarity: 0.7033
Similarity to MM144851
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8258 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162490
Similarity: 0.64
Similarity to MM162490
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.7805 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
