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DocumentationIdentifier: MM95863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95863 |
| SMILES |
C=C(C)N(C=N)C=CCO
|
| InChIKey |
YVMCMKTXCAAHTJ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89236
Similarity: 0.7778
Similarity to MM89236
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275880
Similarity: 0.6547
Similarity to MM275880
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.7913 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197657
Similarity: 0.6212
Similarity to MM197657
| Tanimoto metric | 0.6212 |
|---|---|
| Cosine metric | 0.7697 |
| Dice metric | 0.7664 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
