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DocumentationIdentifier: MM360252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360252 |
| SMILES |
CC(=CNC=N)OCCO
|
| InChIKey |
UMQLHNMUMJKFDS-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91106
Similarity: 0.8351
Similarity to MM91106
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90508
Similarity: 0.7281
Similarity to MM90508
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8426 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237904
Similarity: 0.7043
Similarity to MM237904
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8265 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
