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DocumentationIdentifier: MM365853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365853 |
| SMILES |
C=CC(=C)OCCNC=N
|
| InChIKey |
VYKYTHQMJUDNJQ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166902
Similarity: 0.8222
Similarity to MM166902
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279295
Similarity: 0.6757
Similarity to MM279295
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8065 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66817
Similarity: 0.6444
Similarity to MM66817
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7838 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
