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DocumentationIdentifier: MM291778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291778 |
| SMILES |
CCNC(=N)COCCO
|
| InChIKey |
QLIYXVZFOSGYGI-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166418
Similarity: 0.8242
Similarity to MM166418
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355732
Similarity: 0.7723
Similarity to MM355732
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8715 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355730
Similarity: 0.7453
Similarity to MM355730
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8541 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
