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DocumentationIdentifier: MM372545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372545 |
| SMILES |
C=CCNC=NC(C)CC
|
| InChIKey |
IGGIYKNADDFNSK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153597
Similarity: 0.7432
Similarity to MM153597
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8527 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214820
Similarity: 0.7432
Similarity to MM214820
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8527 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113496
Similarity: 0.7162
Similarity to MM113496
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8346 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
