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DocumentationIdentifier: MM155792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155792 |
| SMILES |
CCNC(C)CNC=O
|
| InChIKey |
QVGFILFRPMWUES-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75637
Similarity: 0.8904
Similarity to MM75637
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355623
Similarity: 0.8228
Similarity to MM355623
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50513
Similarity: 0.7927
Similarity to MM50513
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
