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DocumentationIdentifier: MM423642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423642 |
| SMILES |
C=CNC=NC(CN)CO
|
| InChIKey |
UJXDEUBVIKUWNC-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169561
Similarity: 0.7245
Similarity to MM169561
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8402 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67951
Similarity: 0.6174
Similarity to MM67951
| Tanimoto metric | 0.6174 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7634 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423636
Similarity: 0.6066
Similarity to MM423636
| Tanimoto metric | 0.6066 |
|---|---|
| Cosine metric | 0.7551 |
| Dice metric | 0.7551 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
